(Q105194654)

English

2-[(3S,10S,13R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

group of stereoisomers with the chemical formula C₃₁H₄₈O₃

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Statements

instance of

group of stereoisomers

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subclass of

24-methyllanostane triterpenoid

1 reference

inferred from

24-methyllanostane triterpenoid

mass

468.360345396 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₈O₃

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canonical SMILES

O=C(O)C(CCC(=C)C(C)C)C1CCC2(C3=CCC4C(C3=CCC12C)(C)CCC(O)C4(C)C)C

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isomeric SMILES

C=C(CCC(C(=O)O)[C@H]1CCC2(C)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)C(C)C

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found in taxon

Macrohyporia cocos

1 reference

stated in

Comparative study of lanostane-type triterpene acids in different parts of Poria cocos (Schw.) Wolf by UHPLC-Fourier transform MS and UHPLC-triple quadruple MS

Wolfiporia cocos

1 reference

stated in

Comparative study of lanostane-type triterpene acids in different parts of Poria cocos (Schw.) Wolf by UHPLC-Fourier transform MS and UHPLC-triple quadruple MS

Identifiers

InChI

InChI=1S/C31H48O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25-26,32H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21?,22-,25?,26+,29-,30-,31?/m1/s1

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InChIKey

ONFPYGOMAADWAT-SBLZDXABSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

ONFPYGOMAADWAT-SBLZDXABSA-N

1 reference

(Q105194654)

2-[(3S,10S,13R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid

Statements

Identifiers

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