(Q105036030)

English

[2-[[9,13-dimethyl-17-oxo-14-(5-oxo-2H-furan-3-yl)-6-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate

group of stereoisomers with the chemical formula C₃₂H₄₆O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

574.314183052 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₆O₉

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canonical SMILES

O=C1OCC(=C1)C2CCC34C(=O)C2(C)CCC3C5(C)CCC(OC6OC(C)C(O)C(OC)C6OC(=O)C)CC5CC4

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found in taxon

Cerbera odollam

1 reference

stated in

New cytotoxic cardenolide glycoside from the seeds of Cerbera manghas

Identifiers

InChI

InChI=1S/C32H46O9/c1-17-25(35)26(37-5)27(40-18(2)33)28(39-17)41-21-7-10-30(3)20(15-21)6-12-32-13-8-22(19-14-24(34)38-16-19)31(4,29(32)36)11-9-23(30)32/h14,17,20-23,25-28,35H,6-13,15-16H2,1-5H3

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InChIKey

IACWKTLZDGHUMH-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IACWKTLZDGHUMH-UHFFFAOYSA-N

(Q105036030)

[2-[[9,13-dimethyl-17-oxo-14-(5-oxo-2H-furan-3-yl)-6-tetracyclo[11.3.1.01,10.04,9]heptadecanyl]oxy]-5-hydroxy-4-methoxy-6-methyloxan-3-yl] acetate

Statements

Identifiers

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