(Q105178582)

English

(2S,5R,9S)-9-Acetyl-9-hydroxy-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-1-oxaspiro[4.4]non-7-en-6-one

group of stereoisomers with the chemical formula C₂₉H₅₀O₄

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

462.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₅₀O₄

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canonical SMILES

O=C1C(=C(C)C(O)(C(=O)C)C21OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CC2)C

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found in taxon

Sida acuta

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stated in

Tocopherols and Triterpenoids fromSida acuta

Monascus purpureus

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stated in

Secondary metabolites from the red mould rice of Monascus purpureus BCRC 38113.

Identifiers

InChI

InChI=1S/C29H50O4/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-27(8)18-19-28(33-27)26(31)23(5)24(6)29(28,32)25(7)30/h20-22,32H,9-19H2,1-8H3

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InChIKey

NFNYYDIZCJKCQK-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NFNYYDIZCJKCQK-UHFFFAOYSA-N

1 reference

(Q105178582)

(2S,5R,9S)-9-Acetyl-9-hydroxy-2,7,8-trimethyl-2-((4R,8R)-4,8,12-trimethyltridecyl)-1-oxaspiro[4.4]non-7-en-6-one

Statements

Identifiers

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