(Q105278049)

English

(1R,2R,4aS,6aR,6aS,6bR,8aS,9R,10R,11R,12R,12aR,14bS)-1,10,11,12-tetrahydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,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

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

1 reference

based on heuristic

inferred from SMILES

mass

520.340003876 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₇

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canonical SMILES

O=C(O)C12CCC(C)C(O)(C)C2C3=CCC4C(C)(CCC5C(C)(CO)C(O)C(O)C(O)C45C)C3(C)CC1

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isomeric SMILES

C[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@]5(C)[C@H](CC[C@]43C)[C@](C)(CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]2[C@]1(C)O

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found in taxon

Gambeya boukokoensis

1 reference

stated in

Pentacyclic triterpenoid and saponins from Gambeya boukokoensis.

Identifiers

InChI

InChI=1S/C30H48O7/c1-16-9-12-30(24(35)36)14-13-26(3)17(21(30)29(16,6)37)7-8-19-27(26,4)11-10-18-25(2,15-31)22(33)20(32)23(34)28(18,19)5/h7,16,18-23,31-34,37H,8-15H2,1-6H3,(H,35,36)/t16-,18-,19-,20+,21-,22+,23+,25+,26-,27-,28+,29-,30+/m1/s1

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InChIKey

URUKJKAHSHXWOF-KTCYLFLPSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105278049)

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

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