(Q104397826)

English

16-3-O-beta-D-Xylopyranoside-16-O-(4,6-di-O-acetyl)-beta-D-glucopuranoside

group of stereoisomers with the chemical formula C₄₃H₇₀O₁₃

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Statements

group of stereoisomers

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cucurbitane triterpenoid

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cucurbitane triterpenoid

794.4816423000004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₇₀O₁₃

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canonical SMILES

O=C(OC1C(O)C(O)C(OC1CO)OC2CC3(C)C4C(O)C=C5C(CCC(OC6OCC(O)C(O)C6O)C5(C)C)C4(C)CCC3(C)C2C(C)CCC=C(C)C)C

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Identifiers

InChI=1S/C43H70O13/c1-21(2)11-10-12-22(3)31-28(54-39-35(51)33(49)36(53-23(4)45)29(19-44)55-39)18-43(9)37-26(46)17-25-24(41(37,7)15-16-42(31,43)8)13-14-30(40(25,5)6)56-38-34(50)32(48)27(47)20-52-38/h11,17,22,24,26-39,44,46-51H,10,12-16,18-20H2,1-9H3

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TZFLXDBCBUACKU-UHFFFAOYSA-N

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CAS Registry Number

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CAS (formerly Chemical Abstracts Service)

25 January 2022

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26 December 2021

matched by identifier from

TZFLXDBCBUACKU-UHFFFAOYSA-N

UniChem compound ID

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DSSTox substance ID

DTXSID301104026

1 reference

matched by identifier from

TZFLXDBCBUACKU-UHFFFAOYSA-N

Human Metabolome Database ID

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

TZFLXDBCBUACKU-UHFFFAOYSA-N

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