10321055
  -OEChem-04282422562D

 80 84  0     1  0  0  0  0  0999 V2000
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   11.4608    0.4932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0789   -2.0825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4120   -1.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2709   -1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7977    2.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6726    1.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.6726    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2188    3.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8817    2.6838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6035   -0.6334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7593    3.2033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5226    4.0476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -2.2812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 19  1  1  1  0  0  0
  1 80  1  0  0  0  0
  2 30  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
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  3 17  1  1  0  0  0
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  7  9  1  0  0  0  0
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  9 38  1  0  0  0  0
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 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 18  1  0  0  0  0
 16 25  1  0  0  0  0
 16 30  1  1  0  0  0
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 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
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 20 52  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 56  1  0  0  0  0
 22 57  1  0  0  0  0
 23 58  1  0  0  0  0
 23 59  1  0  0  0  0
 23 60  1  0  0  0  0
 24 26  1  0  0  0  0
 24 61  1  0  0  0  0
 24 62  1  0  0  0  0
 25 29  1  0  0  0  0
 25 63  1  0  0  0  0
 25 64  1  0  0  0  0
 26 29  1  0  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
 27 65  1  0  0  0  0
 27 66  1  0  0  0  0
 27 67  1  0  0  0  0
 28 68  1  0  0  0  0
 28 69  1  0  0  0  0
 28 70  1  0  0  0  0
 29 71  1  0  0  0  0
 29 72  1  0  0  0  0
 30 73  1  0  0  0  0
 31 74  1  0  0  0  0
 31 75  1  0  0  0  0
 31 76  1  0  0  0  0
 32 77  1  0  0  0  0
 32 78  1  0  0  0  0
 32 79  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10321055

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
838

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAwYMGCAAAAAADAAAAAGgAACAAADxSggAICAAAAAgCIAihSgAAAAAAgAAAACAEAAAgAEBIAAQAAQAAEgAAIAAOIyPCPgAAAAAAAAADAAAYAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde

> <PUBCHEM_IUPAC_CAS_NAME>
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxaldehyde

> <PUBCHEM_IUPAC_NAME_MARKUP>
(4<I>a</I><I>S</I>,6<I>a</I><I>R</I>,6<I>a</I><I>S</I>,6<I>b</I><I>R</I>,8<I>a</I><I>R</I>,10<I>S</I>,12<I>a</I><I>R</I>,14<I>b</I><I>S</I>)-10-hydroxy-2,2,6<I>a</I>,6<I>b</I>,9,9,12<I>a</I>-heptamethyl-1,3,4,5,6,6<I>a</I>,7,8,8<I>a</I>,10,11,12,13,14<I>b</I>-tetradecahydropicene-4<I>a</I>-carbaldehyde

> <PUBCHEM_IUPAC_NAME>
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carbaldehyde

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H48O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,19,21-24,32H,9-18H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
STHRNDDZYFUIDO-OSQDELBUSA-N

> <PUBCHEM_XLOGP3_AA>
7.4

> <PUBCHEM_EXACT_MASS>
440.365430770

> <PUBCHEM_MOLECULAR_FORMULA>
C30H48O2

> <PUBCHEM_MOLECULAR_WEIGHT>
440.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C=O)C)C)(C)C)O

> <PUBCHEM_CACTVS_TPSA>
37.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
440.365430770

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
8

> <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>
19  1  5
12  39  5
16  30  5
3  17  5
4  33  6
5  21  5
6  23  6
7  34  6

$$$$
