(Q105219131)

English

6-[4,5-Dihydroxy-6-methoxycarbonyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,12,16-trimethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

group of stereoisomers with the chemical formula C₄₃H₆₄O₁₆

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Statements

instance of

group of stereoisomers

0 references

subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

836.4194359680005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₆₄O₁₆

0 references

canonical SMILES

O=C1OC(CC=C1C)C(C)C2CCC3(C)C4CCC5C(C(=O)O)(C)C(OC6OC(C(=O)OC)C(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)CCC85CC48CCC23C

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found in taxon

Abrus fruticulosus

1 reference

stated in

Sweet-Tasting Triterpene Glycoside Constituents of Abrus fruticulosus1

Abrus precatorius

1 reference

stated in

Abrusosides A-D, four novel sweet-tasting triterpene glycosides from the leaves of Abrus precatorius.

Identifiers

InChI

InChI=1S/C43H64O16/c1-19-7-8-22(55-34(19)50)20(2)21-11-13-40(4)24-9-10-25-41(5,38(52)53)26(12-14-42(25)18-43(24,42)16-15-39(21,40)3)57-37-33(30(48)29(47)32(58-37)35(51)54-6)59-36-31(49)28(46)27(45)23(17-44)56-36/h7,20-33,36-37,44-49H,8-18H2,1-6H3,(H,52,53)

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InChIKey

QEDGWIMJTUXDGU-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QEDGWIMJTUXDGU-UHFFFAOYSA-N

(Q105219131)

6-[4,5-Dihydroxy-6-methoxycarbonyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-7,12,16-trimethyl-15-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid

Statements

Identifiers

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