(Q105246512)

English

2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-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 C₃₃H₅₀O₅

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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

526.3658247 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₀O₅

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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)C

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isomeric SMILES

C=C(CCC(C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C)C(C)C

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found in taxon

Wolfiporia cocos

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stated in

Triterpene Acids fromPoria cocosand Their Anti-Tumor-Promoting Effects

Macrohyporia cocos

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stated in

Triterpene Acids fromPoria cocosand Their Anti-Tumor-Promoting Effects

Identifiers

InChI

InChI=1S/C33H50O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(35)18-33(9)24-12-13-26-30(5,6)27(38-21(4)34)15-16-31(26,7)23(24)14-17-32(28,33)8/h12,14,19,22,25-28,35H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22?,25-,26+,27+,28+,31-,32-,33+/m1/s1

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InChIKey

RWIALJIVPUCERT-MTHWCOGXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RWIALJIVPUCERT-MTHWCOGXSA-N

1 reference

(Q105246512)

2-[(3S,5R,10S,13R,14R,16R,17R)-3-acetyloxy-16-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

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Identifiers

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