(Q104086270)

English

2-[(3S,10S,13R)-16-hydroxy-3-(4-hydroxybenzoyl)oxy-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 C₃₈H₅₂O₆

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Statements

instance of

group of stereoisomers

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subclass of

24-methyllanostane triterpenoid

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inferred from

24-methyllanostane triterpenoid

mass

604.376389384 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₂O₆

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canonical SMILES

O=C(OC1CCC2(C3=CCC4(C)C(C(O)CC4(C3=CCC2C1(C)C)C)C(C(=O)O)CCC(=C)C(C)C)C)C5=CC=C(O)C=C5

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isomeric SMILES

C=C(CCC(C(=O)O)C1C(O)CC2(C)C3=CCC4C(C)(C)[C@@H](OC(=O)c5ccc(O)cc5)CC[C@]4(C)C3=CC[C@]12C)C(C)C

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found in taxon

Wolfiporia extensa

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stated in

3 beta-p-hydroxybenzoyldehydrotumulosic acid from Poria cocos, and its anti-inflammatory effect

Macrohyporia cocos

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stated in

Systematic screening and characterization of the major bioactive components of Poria cocos and their metabolites in rats by LC-ESI-MS(n).

Wolfiporia cocos

1 reference

stated in

Systematic screening and characterization of the major bioactive components of Poria cocos and their metabolites in rats by LC-ESI-MS(n).

Identifiers

InChI

InChI=1S/C38H52O6/c1-22(2)23(3)9-14-26(33(41)42)32-29(40)21-38(8)28-15-16-30-35(4,5)31(44-34(43)24-10-12-25(39)13-11-24)18-19-36(30,6)27(28)17-20-37(32,38)7/h10-13,15,17,22,26,29-32,39-40H,3,9,14,16,18-21H2,1-2,4-8H3,(H,41,42)/t26?,29?,30?,31-,32?,36+,37+,38?/m0/s1

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InChIKey

BMRXKURCHPMXTP-YURAHZOPSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BMRXKURCHPMXTP-YURAHZOPSA-N

1 reference

(Q104086270)

2-[(3S,10S,13R)-16-hydroxy-3-(4-hydroxybenzoyl)oxy-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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