162343338
  -OEChem-04292400152D

 46 49  0     1  0  0  0  0  0999 V2000
    6.2392    2.4074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3683    0.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    2.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6523   -0.8012    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6042   -1.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362    0.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7542   -1.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6209   -2.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5144   -0.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7459   -2.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6855   -2.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    0.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6362    2.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8522   -0.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8454    3.2121    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5022    1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    0.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8341    3.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779   -2.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6894   -3.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1776    3.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2166   -1.4185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8042   -0.7350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8390   -2.9871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2301   -2.2912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8286   -0.8291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489    0.0196    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2003    0.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0684    3.7906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3140   -1.1161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4237    3.5069    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7054    3.9217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5700   -2.3725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3398   -3.2185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1858   -3.4487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0694   -3.9588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6918   -4.5764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3094   -3.9540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6390    4.3705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635    4.4179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161    3.5424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9052    0.5503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9042    2.8603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  1 21  1  0  0  0  0
  2 14  1  0  0  0  0
  2 45  1  0  0  0  0
  3 19  1  0  0  0  0
  3 46  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  6  0  0  0
  6  9  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 10  2  0  0  0  0
  7 14  1  0  0  0  0
  8 12  1  0  0  0  0
  8 16  2  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 22  1  0  0  0  0
 13 23  1  0  0  0  0
 14 18  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 33  1  0  0  0  0
 17 21  1  0  0  0  0
 17 24  1  1  0  0  0
 17 32  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
162343338

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
648

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB4OAAAAAAAAAAAAAAAAAAAASAAAAAwQIAAAAAAAEiBAAAAGgAACAAADwSgmAICBoAABgCIAqBSAAACCAAkIAAAiAEEiMgNJzaGNBqCeWOl4BULuQfK7PzP4QADCAAYQADCAAYQADCAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(8R,11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f]benzofuran-6-one

> <PUBCHEM_IUPAC_CAS_NAME>
(8R,11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f]benzofuran-6-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(8<I>R</I>,11<I>b</I><I>S</I>)-7,11-dihydroxy-3,4,8,11<I>b</I>-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one

> <PUBCHEM_IUPAC_NAME>
(8R,11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(8R,11bS)-3,4,8,11b-tetramethyl-7,11-bis(oxidanyl)-1,2,8,9-tetrahydronaphtho[2,1-f][1]benzofuran-6-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(8R,11bS)-7,11-dihydroxy-3,4,8,11b-tetramethyl-1,2,8,9-tetrahydronaphtho[2,1-f]benzofuran-6-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H22O4/c1-9-5-6-20(4)12(11(9)3)7-13(21)15-16(20)18(23)19-14(17(15)22)10(2)8-24-19/h7,10,22-23H,5-6,8H2,1-4H3/t10-,20-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YOJNWDYXALZJGT-FVINQWEUSA-N

> <PUBCHEM_XLOGP3_AA>
3.5

> <PUBCHEM_EXACT_MASS>
326.15180918

> <PUBCHEM_MOLECULAR_FORMULA>
C20H22O4

> <PUBCHEM_MOLECULAR_WEIGHT>
326.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1COC2=C(C3=C(C(=O)C=C4C3(CCC(=C4C)C)C)C(=C12)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@H]1COC2=C(C3=C(C(=O)C=C4[C@@]3(CCC(=C4C)C)C)C(=C12)O)O

> <PUBCHEM_CACTVS_TPSA>
66.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
326.15180918

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  19  8
14  18  8
15  18  8
15  19  8
17  24  5
5  11  6
7  10  8
7  14  8

$$$$
