287688
  -OEChem-04292400022D

 75 80  0     1  0  0  0  0  0999 V2000
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   10.1833    3.5014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0027    2.4696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   10.1949    0.3460    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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   10.1949    2.5015    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
287688

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
726

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4OAAAAAAAAAAAAAAAAAAAAaIAAAA0YMEAAAASAGDAAAAAGgAACAAADxSggAICCAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAEAAAFAAHA4PwPgAAAAAAAAADAAAYAACCAAYAADAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-tetrahydropyran]-15,16-diol

> <PUBCHEM_IUPAC_CAS_NAME>
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicosane-6,2'-oxane]-15,16-diol

> <PUBCHEM_IUPAC_NAME_MARKUP>
5&apos;,7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0<SUP>2,9</SUP>.0<SUP>4,8</SUP>.0<SUP>13,18</SUP>]icosane-6,2&apos;-oxane]-15,16-diol

> <PUBCHEM_IUPAC_NAME>
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-15,16-diol

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]eicosane-6,2'-tetrahydropyran]-15,16-diol

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H44O4/c1-15-7-10-27(30-14-15)16(2)24-23(31-27)12-20-18-6-5-17-11-21(28)22(29)13-26(17,4)19(18)8-9-25(20,24)3/h15-24,28-29H,5-14H2,1-4H3

> <PUBCHEM_IUPAC_INCHIKEY>
FWCXELAAYFYCSR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.5

> <PUBCHEM_EXACT_MASS>
432.32395988

> <PUBCHEM_MOLECULAR_FORMULA>
C27H44O4

> <PUBCHEM_MOLECULAR_WEIGHT>
432.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)O)O)C)C)C)OC1

> <PUBCHEM_CACTVS_TPSA>
58.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
432.32395988

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
13

> <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  12  3
11  23  3
15  25  3
16  19  3
18  26  3
24  3  3
30  31  3
27  4  3
5  20  3
6  12  3
7  17  3
8  15  3
9  14  3

$$$$
