(Q104170841)

English

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

group of stereoisomers with the chemical formula C₄₂H₆₆O₁₅

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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

810.440171412 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₆O₁₅

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canonical SMILES

O=C(O)C12C(=CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC31C)C6C(C)C(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CC2

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found in taxon

Tetraena coccinea

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stated in

Triterpenoidal saponins: bioactive secondary metabolites from Zygophyllum coccineum

Mussaenda pubescens

1 reference

stated in

Saponins from Mussaenda pubescens

Identifiers

InChI

InChI=1S/C42H66O15/c1-19-9-14-41(37(53)57-35-33(50)31(48)29(46)23(18-44)55-35)15-16-42(36(51)52)21(27(41)20(19)2)7-8-25-39(5)12-11-26(38(3,4)24(39)10-13-40(25,42)6)56-34-32(49)30(47)28(45)22(17-43)54-34/h7,19-20,22-35,43-50H,8-18H2,1-6H3,(H,51,52)

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InChIKey

LDCLXZSKVDYDBF-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104170841)

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

Statements

Identifiers

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