(Q104922300)

English

(Z,2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-7-hydroxy-6-methylhept-5-enoic acid

chemical compound

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subclass of

2-[6-(2-Carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-7-hydroxy-6-methylhept-5-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

500.313789128 dalton

1 reference

2 references

inferred from InChIKey

1 reference

(Z,2R)-2-[(2R,3R,3aR,6S,7R,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-7-hydroxy-6-methylhept-5-enoic acid

1 reference

based on heuristic

inferred from InChI

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(C(=O)O)CCC=C(C)CO)C

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isomeric SMILES

C=C(C)[C@@H]1CC=C2C(=CC[C@]3(C)[C@@H]([C@@H](CC/C=C(/C)CO)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 from the surface layer of Poria cocos

Macrohyporia cocos

1 reference

stated in

Triterpenes from the surface layer of Poria cocos

Identifiers

InChI

InChI=1S/C30H44O6/c1-18(2)21-10-11-23-22(28(21,4)14-13-25(33)34)12-15-29(5)26(24(32)16-30(23,29)6)20(27(35)36)9-7-8-19(3)17-31/h8,11-12,20-21,24,26,31-32H,1,7,9-10,13-17H2,2-6H3,(H,33,34)(H,35,36)/b19-8-/t20-,21+,24-,26+,28+,29-,30+/m1/s1

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InChIKey

BAMOLJDIJFNXHV-FWGWIYSYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BAMOLJDIJFNXHV-FWGWIYSYSA-N

(Q104922300)

(Z,2R)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-7-hydroxy-6-methylhept-5-enoic acid

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