(Q104996798)

English

(4aS,6aR,6aS,6bR,8aS,9S,10R,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

10-Hydroxy-9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

456.323959888 dalton

1 reference

1 reference

(4aS,6aR,6aS,6bR,8aS,9S,10R,12aR,14bR)-10-hydroxy-9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

1 reference

1 reference

C₂₉H₄₄O₄

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canonical SMILES

O=C(O)C12CCC(=C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC1

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isomeric SMILES

C=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2C1

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found in taxon

Akebia quinata

1 reference

stated in

A triterpene from Akebia quinata callus tissue

Akebia trifoliata

1 reference

stated in

A triterpene from Akebia quinata callus tissue

Identifiers

InChI

InChI=1S/C29H44O4/c1-18-8-13-29(24(32)33)15-14-27(4)19(20(29)16-18)6-7-22-25(2)11-10-23(31)26(3,17-30)21(25)9-12-28(22,27)5/h6,20-23,30-31H,1,7-17H2,2-5H3,(H,32,33)/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m0/s1

0 references

InChIKey

FKUBIEWSGBVADJ-LDEPDHQBSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FKUBIEWSGBVADJ-LDEPDHQBSA-N

(Q104996798)

(4aS,6aR,6aS,6bR,8aS,9S,10R,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-6a,6b,9,12a-tetramethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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