(Q105149692)

English

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

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

488.350174636 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₅

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canonical SMILES

O=C(O)C12C(=C3CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC4(C)C3(C)CC1)CC(C)(C)CC2

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isomeric SMILES

CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C

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found in taxon

Centella asiatica

1 reference

stated in

Medicinal Foodstuffs. XXVI. Inhibitors of Aldose Reductase and New Triterpene and Its Oligoglycoside, Centellasapogenol A and Centellasaponin A, from Centella asiatica (Gotu Kola)

Identifiers

InChI

InChI=1S/C30H48O5/c1-25(2)11-13-30(24(34)35)14-12-28(5)18(19(30)15-25)7-8-22-26(3)16-20(32)23(33)27(4,17-31)21(26)9-10-29(22,28)6/h20-23,31-33H,7-17H2,1-6H3,(H,34,35)/t20-,21-,22-,23+,26+,27+,28-,29-,30+/m1/s1

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InChIKey

LBYASJQBHLSHBP-DCAIOKEXSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LBYASJQBHLSHBP-DCAIOKEXSA-N

1 reference

(Q105149692)

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

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Identifiers

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