(Q105233602)

English

(2R)-2-[(2R,3R,3aR,6S,7R,9bR)-7-ethenyl-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[7-Ethenyl-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

498.334524572 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₆O₅

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canonical SMILES

O=C(O)C(CCC(=C)C(C)C)C1C(O)CC2(C3=CCC(C=C)C(C3=CCC12C)(C)CCC(=O)OC)C

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isomeric SMILES

C=C[C@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CCC(=C)C(C)C)C(=O)O)[C@H](O)C[C@@]23C)[C@@]1(C)CCC(=O)OC

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found in taxon

Wolfiporia cocos

1 reference

stated in

Triterpenes of Poria cocos

Macrohyporia cocos

1 reference

stated in

Triterpenes of Poria cocos

Identifiers

InChI

InChI=1S/C31H46O5/c1-9-21-11-13-24-23(29(21,5)16-15-26(33)36-8)14-17-30(6)27(25(32)18-31(24,30)7)22(28(34)35)12-10-20(4)19(2)3/h9,13-14,19,21-22,25,27,32H,1,4,10-12,15-18H2,2-3,5-8H3,(H,34,35)/t21-,22+,25+,27-,29-,30+,31-/m0/s1

0 references

InChIKey

RCEWILKNRUPQQS-VWJPDWQNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RCEWILKNRUPQQS-VWJPDWQNSA-N

(Q105233602)

(2R)-2-[(2R,3R,3aR,6S,7R,9bR)-7-ethenyl-2-hydroxy-6-(3-methoxy-3-oxopropyl)-3a,6,9b-trimethyl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methyl-5-methylideneheptanoic acid

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