ABJ-879

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H41NO6S2
Molecular Weight	539.748
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O2)C(\C)=C\C3=CSC(SC)=N3

InChI

InChIKey=FODFUEDBIXOGNY-AKXQMUJXSA-N

InChI=1S/C27H41NO6S2/c1-15-9-8-10-27(6)21(34-27)12-19(16(2)11-18-14-36-25(28-18)35-7)33-22(30)13-20(29)26(4,5)24(32)17(3)23(15)31/h11,14-15,17,19-21,23,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,19-,20-,21-,23-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H41NO6S2
Molecular Weight	539.748
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:54:05 GMT 2023` Edited by `admin` on `Fri Dec 15 15:54:05 GMT 2023`
Record UNII	VYT0XP0XFK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ABJ-879

Code

English

4,17-DIOXABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE, 7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-((1E)-1-METHYL-2-(2-(METHYLTHIO)-4-THIAZOLYL)ETHENYL)-, (1S,3S,7S,10R,11S,12S,16R)-

Systematic Name

English

Code System Code Type Description

CAS

1032119-27-9