(Q105111413)

English

(2R)-2-[(3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-7-ethenyl-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-[6-(2-Carboxyethyl)-7-ethenyl-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

468.323959888 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₄

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canonical SMILES

O=C(O)CCC1(C2=CCC3(C)C(CCC3(C2=CCC1C=C)C)C(C(=O)O)CCC(=C)C(C)C)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)CC[C@@]23C)[C@@]1(C)CCC(=O)O

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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/C30H44O4/c1-8-21-10-12-25-24(28(21,5)16-15-26(31)32)14-18-29(6)23(13-17-30(25,29)7)22(27(33)34)11-9-20(4)19(2)3/h8,12,14,19,21-23H,1,4,9-11,13,15-18H2,2-3,5-7H3,(H,31,32)(H,33,34)/t21-,22-,23-,28+,29-,30+/m1/s1

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InChIKey

IDLSIHOLGUQNMM-MQQZDLKESA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105111413)

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

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