QUASSIMARIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H36O11
Molecular Weight	536.5681
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@](C)(OC(C)=O)C(=O)O[C@@H]1[C@H]2[C@]3(C)OC[C@]24[C@@H](C[C@H]5C(C)=CC(=O)[C@@H](O)[C@]5(C)[C@H]4[C@@H](O)[C@@H]3O)OC1=O

InChI

InChIKey=FXMIXHYJCNZLFE-ACBKHETBSA-N

InChI=1S/C27H36O11/c1-7-24(4,38-12(3)28)23(34)37-17-19-26(6)21(32)16(30)18-25(5)13(11(2)8-14(29)20(25)31)9-15(36-22(17)33)27(18,19)10-35-26/h8,13,15-21,30-32H,7,9-10H2,1-6H3/t13-,15+,16+,17+,18+,19-,20+,21-,24+,25-,26-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H36O11
Molecular Weight	536.5681
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:27:44 GMT 2025` Edited by `admin` on `Mon Mar 31 22:27:44 GMT 2025`
Record UNII	3T62WCM8EK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(+)-QUASSIMARIN

Preferred Name

English

QUASSIMARIN

Common Name

English

(1.BETA.,11.BETA.,12.ALPHA.,15.BETA.)-15-((2R)-2-(ACETYLOXY)-2-METHYL-1-OXOBUTOXY)-13,20-EPOXY-1,11,12-TRIHYDROXYPICRAS-3-ENE-2,16-DIONE

Systematic Name

English

PICRAS-3-ENE-2,16-DIONE, 15-((2R)-2-(ACETYLOXY)-2-METHYL-1-OXOBUTOXY)-13,20-EPOXY-1,11,12-TRIHYDROXY-, (1.BETA.,11.BETA.,12.ALPHA.,15.BETA.)-

Systematic Name

English

PICRAS-3-ENE-2,16-DIONE, 15-(2-(ACETYLOXY)-2-METHYL-1-OXOBUTOXY)-13,20-EPOXY-1,11,12-TRIHYDROXY-, (1.BETA.,11.BETA.,12.ALPHA.,15.BETA.(R))-

Systematic Name

English

((1R,2S,3R,6R,8S,12S,13S,14R,15R,16S,17S)-12,15,16-TRIHYDROXY-9,13,17-TRIMETHYL-4,11-DIOXO-5,18-DIOXAPENTACYCLO(12.5.0.01,6.02,17.08,13)NONADEC-9-EN-3-YL) (2R)-2-ACETYLOXY-2-METHYLBUTANOATE

Systematic Name

English

Code System Code Type Description

CHEBI

8691