(Q105101699)

English

(1s,2r,4As,6as,6br,10s,12ar)-10-(3-hydroxy-3-oxo-propanoyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-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 C₃₃H₅₀O₆

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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

542.36073932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₃H₅₀O₆

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canonical SMILES

O=C(O)CC(=O)OC1CCC2(C)C3CC=C4C5C(C)C(C)CCC5(C(=O)O)CCC4(C)C3(C)CCC2C1(C)C

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isomeric SMILES

C[C@@H]1C2C3=CCC4[C@@]5(C)CC[C@H](OC(=O)CC(=O)O)C(C)(C)C5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C

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found in taxon

Cynomorium songaricum

1 reference

stated in

Triterpenes from Cynomorium songaricium--analysis of HCV protease inhibitory activity, quantification, and content change under the influence of heating

Identifiers

InChI

InChI=1S/C33H50O6/c1-19-10-15-33(28(37)38)17-16-31(6)21(27(33)20(19)2)8-9-23-30(5)13-12-24(39-26(36)18-25(34)35)29(3,4)22(30)11-14-32(23,31)7/h8,19-20,22-24,27H,9-18H2,1-7H3,(H,34,35)(H,37,38)/t19-,20+,22?,23?,24+,27?,30+,31-,32-,33+/m1/s1

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InChIKey

BXCDNFMSWNBZGR-YKOFDZHISA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BXCDNFMSWNBZGR-YKOFDZHISA-N

1 reference

(Q105101699)

(1s,2r,4As,6as,6br,10s,12ar)-10-(3-hydroxy-3-oxo-propanoyl)oxy-1,2,6a,6b,9,9,12a-heptamethyl-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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