(Q104936128)

English

[4,21-Diacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate

group of stereoisomers with the chemical formula C₃₅H₄₆O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

658.298926912 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₄₆O₁₂

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canonical SMILES

O=C(OC1C(=O)C2C34COC(OC(=O)C(C)CC)C(C)(C(OC(=O)C)CC3O)C4CC(O)C2(C)C56OC6CC(C7=COC=C7)C15C)C

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found in taxon

Melia azedarach

1 reference

stated in

Melianolide, a New Limonoid of Biogenetic Interest, from Chinese Melia azedarach L.

Identifiers

InChI

InChI=1S/C35H46O12/c1-8-16(2)29(41)46-30-31(5)21-12-22(38)33(7)27(34(21,15-43-30)23(39)13-24(31)44-17(3)36)26(40)28(45-18(4)37)32(6)20(19-9-10-42-14-19)11-25-35(32,33)47-25/h9-10,14,16,20-25,27-28,30,38-39H,8,11-13,15H2,1-7H3

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InChIKey

BHOJESWIVMSURC-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BHOJESWIVMSURC-UHFFFAOYSA-N

(Q104936128)

[4,21-Diacetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate

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