(Q105225399)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

2-[6-(2-carboxyethyl)-7-ethenyl-2-hydroxy-3a,6,9b-trimethyl-1H,2H,3H,4H,7H,8H-cyclopenta[a]naphthalen-3-yl]-6-hydroxy-6-methyl-5-methylideneheptanoic acid

1 reference

based on heuristic

inferred from SMILES

mass

500.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄O₆

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canonical SMILES

O=C(O)CCC1(C2=CCC3(C)C(C(O)CC3(C2=CCC1C=C)C)C(C(=O)O)CCC(=C)C(O)(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)O)C(=O)O)[C@H](O)C[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/C30H44O6/c1-8-19-10-12-22-21(28(19,5)15-14-24(32)33)13-16-29(6)25(23(31)17-30(22,29)7)20(26(34)35)11-9-18(2)27(3,4)36/h8,12-13,19-20,23,25,31,36H,1-2,9-11,14-17H2,3-7H3,(H,32,33)(H,34,35)/t19-,20+,23+,25-,28-,29+,30-/m0/s1

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InChIKey

QPHXXDSUNQTZFD-GBKBFNAISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QPHXXDSUNQTZFD-GBKBFNAISA-N

(Q105225399)

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

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