ANNONACIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H64O7
Molecular Weight	596.8785
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC[C@@]([H])(O1)[C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)[C@H](O)CCCCCCCCCCCC

InChI

InChIKey=XNODZYPOIPVPRF-CGWDHHCXSA-N

InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-29(36)18-13-12-14-20-30(37)26-28-25-27(2)41-35(28)40/h25,27,29-34,36-39H,3-24,26H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H64O7
Molecular Weight	596.8785
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Annonaceous acetogenins from the leaves of Annona montana.	2002 Mar	11814843

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:06:31 UTC 2023` Edited by `admin` on `Sat Dec 16 08:06:31 UTC 2023`
Record UNII	40372ET6TM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ANNONACIN

Common Name

English

2(5H)-FURANONE, 5-METHYL-3-((2R,8R,13R)-2,8,13-TRIHYDROXY-13-((2R,5R)-TETRAHYDRO-5-((1R)-1-HYDROXYTRIDECYL)-2-FURANYL)TRIDECYL)-, (5S)-

Systematic Name

English

(+)-ANNONACIN

Common Name

English

(5S)-5-METHYL-3-((2R,8R,13R)-2,8,13-TRIHYDROXY-13-((2R,5R)-TETRAHYDRO-5-((1R)-1-HYDROXYTRIDECYL)-2-FURANYL)TRIDECYL)-2(5H)-FURANONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID20892989