(Q104948165)

English

[(4R,5R,6S,8R,9S)-9-acetyloxy-4,6,8-trimethyl-3,7-dioxoundecan-5-yl] (2R)-2-methyl-3-oxopentanoate

chemical compound

In more languages

Statements

type of chemical entity

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biogenic acyclic ester

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biogenic acyclic ketone

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412.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(4R,5R,6R,8R,9S)-9-acetyloxy-4,6,8-trimethyl-3,7-dioxoundecan-5-yl] (2S)-2-methyl-3-oxopentanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₇

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canonical SMILES

O=C(OC(CC)C(C(=O)C(C)C(OC(=O)C(C(=O)CC)C)C(C(=O)CC)C)C)C

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isomeric SMILES

CCC(=O)[C@@H](C)C(=O)O[C@@H]([C@H](C)C(=O)[C@H](C)[C@H](CC)OC(C)=O)[C@@H](C)C(=O)CC

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Micromelo undata

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Micromelones A and B, noncontiguous polypropionates from Micromelo undata.

Identifiers

InChI=1S/C22H36O7/c1-9-17(24)12(4)21(29-22(27)13(5)18(25)10-2)15(7)20(26)14(6)19(11-3)28-16(8)23/h12-15,19,21H,9-11H2,1-8H3/t12-,13+,14+,15+,19-,21+/m0/s1

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BXPUQZCMXTUGDK-FRXYRZNBSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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