(Q104888523)

English

9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₃₆H₅₈O₉

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

634.408083436 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₈O₉

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canonical SMILES

O=C(O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC1

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found in taxon

Cussonia bancoensis

1 reference

stated in

In vivo anti-nociceptive and anti-inflammatory effect of the two triterpenes, ursolic acid and 23-hydroxyursolic acid, from Cussonia bancoensis

Identifiers

InChI

InChI=1S/C36H58O9/c1-19-9-14-36(31(42)43)16-15-34(5)21(26(36)20(19)2)7-8-24-32(3)12-11-25(33(4,18-38)23(32)10-13-35(24,34)6)45-30-29(41)28(40)27(39)22(17-37)44-30/h7,19-20,22-30,37-41H,8-18H2,1-6H3,(H,42,43)

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InChIKey

SHSTYRBKXWDVCB-UHFFFAOYSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q104888523)

9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

Statements

Identifiers

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