(Q104888885)

English

9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-(3,4,5-trihydroxyoxan-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 C₃₅H₅₆O₈

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Statements

instance of

group of stereoisomers

0 references

subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

604.397518752 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₆O₈

0 references

canonical SMILES

O=C(O)C12CCC(C)C(C)C2C3=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC1

0 references

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/C35H56O8/c1-19-9-14-35(30(40)41)16-15-33(5)21(26(35)20(19)2)7-8-24-31(3)12-11-25(43-29-28(39)27(38)22(37)17-42-29)32(4,18-36)23(31)10-13-34(24,33)6/h7,19-20,22-29,36-39H,8-18H2,1-6H3,(H,40,41)

0 references

InChIKey

VLKSXELFNUEYKM-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VLKSXELFNUEYKM-UHFFFAOYSA-N

(Q104888885)

9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-10-(3,4,5-trihydroxyoxan-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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