IXABEPILONE DIOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H44N2O6S
Molecular Weight	524.713
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CCC[C@@](C)(O)[C@H](O)C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C2=CSC(C)=N2

InChI

InChIKey=DLYRHPDEFFZXST-RNERNZGZSA-N

InChI=1S/C27H44N2O6S/c1-15-9-8-10-27(7,35)22(31)12-20(16(2)11-19-14-36-18(4)28-19)29-23(32)13-21(30)26(5,6)25(34)17(3)24(15)33/h11,14-15,17,20-22,24,30-31,33,35H,8-10,12-13H2,1-7H3,(H,29,32)/b16-11+/t15-,17+,20-,21-,22+,24-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H44N2O6S
Molecular Weight	524.713
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 `Sat Dec 16 19:02:32 GMT 2023` Edited by `admin` on `Sat Dec 16 19:02:32 GMT 2023`
Record UNII	23JHA49TEZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IXABEPILONE DIOL

Common Name

English

AZACYCLOHEXADECANE-2,6-DIONE, 4,8,13,14-TETRAHYDROXY-5,5,7,9,13-PENTAMETHYL-16-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)-, (4S,7R,8S,9S,13R,14R,16S)-

Systematic Name

English

(4S,7R,8S,9S,13R,14R,16S)-4,8,13,14-TETRAHYDROXY-5,5,7,9,13-PENTAMETHYL-16-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)AZACYCLOHEXADECANE-2,6-DIONE

Systematic Name

English

BMS 326412

Code

English

BMS-326412

Code

English

Code System Code Type Description

PUBCHEM

156596382

Created by admin on Sat Dec 16 19:02:33 GMT 2023 , Edited by admin on Sat Dec 16 19:02:33 GMT 2023

PRIMARY

FDA UNII

23JHA49TEZ

Created by admin on Sat Dec 16 19:02:33 GMT 2023 , Edited by admin on Sat Dec 16 19:02:33 GMT 2023

PRIMARY

CAS

1220999-09-6

Created by admin on Sat Dec 16 19:02:33 GMT 2023 , Edited by admin on Sat Dec 16 19:02:33 GMT 2023

PRIMARY

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