(Q104402717)

English

[(4aR,6aR,6aS,6bS,8aR,12aS,14aS,14bR)-6a-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-13-oxo-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate

group of stereoisomers with the chemical formula C₃₂H₅₂O₄

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instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

500.386560144 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₂H₅₂O₄

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canonical SMILES

O=C(OC1CCC2(C)C(CCC3(C)C2CC(=O)C4(O)C5CC(C)(C)CCC5(C)CCC43C)C1(C)C)C

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isomeric SMILES

CC(=O)OC1CC[C@]2(C)[C@@H]3CC(=O)[C@]4(O)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C

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Identifiers

InChI

InChI=1S/C32H52O4/c1-20(33)36-25-11-12-29(7)21(27(25,4)5)10-13-30(8)22(29)18-24(34)32(35)23-19-26(2,3)14-15-28(23,6)16-17-31(30,32)9/h21-23,25,35H,10-19H2,1-9H3/t21-,22-,23-,25?,28+,29-,30+,31-,32+/m0/s1

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InChIKey

GWMSDMQWKMSCJR-QAUUQJPESA-N

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PubChem CID

138114012

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GWMSDMQWKMSCJR-QAUUQJPESA-N

(Q104402717)

[(4aR,6aR,6aS,6bS,8aR,12aS,14aS,14bR)-6a-hydroxy-4,4,6a,6b,8a,11,11,14b-octamethyl-13-oxo-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] acetate

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Identifiers

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