(Q105161513)

English

(2R,6bR,12aR)-10-hydroxy-2,9-bis(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one

group of stereoisomers with the chemical formula C₃₀H₄₈O₄

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

472.355260016 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₄

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canonical SMILES

O=C1CC(C)(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC12C

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isomeric SMILES

CC12CCC3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(CO)C5CC[C@]43C)C1C[C@@](C)(CO)CC2=O

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found in taxon

Wisteria brachybotrys

1 reference

stated in

Studies on the constituents of leguminous plants. XI. The structures of new triterpenoids from Wistaria brachybotrys Sieb. et Zucc.

Identifiers

InChI

InChI=1S/C30H48O4/c1-25(17-31)15-20-19-7-8-22-27(3)11-10-23(33)28(4,18-32)21(27)9-12-30(22,6)29(19,5)14-13-26(20,2)24(34)16-25/h7,20-23,31-33H,8-18H2,1-6H3/t20?,21?,22?,23?,25-,26?,27+,28?,29?,30-/m1/s1

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InChIKey

MCXBUCDXRNABAN-SPXSMXRWSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MCXBUCDXRNABAN-SPXSMXRWSA-N

1 reference

(Q105161513)

(2R,6bR,12aR)-10-hydroxy-2,9-bis(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one

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Identifiers

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