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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 of IXABEPILONE DIOL

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 Fri Jul 07 00:17:04 UTC 2023
Edited
by admin
on Fri Jul 07 00:17:04 UTC 2023
Record UNII
23JHA49TEZ
Record Status Validated (UNII)
Record Version
  • Download
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 Fri Jul 07 00:17:04 UTC 2023 , Edited by admin on Fri Jul 07 00:17:04 UTC 2023
PRIMARY
FDA UNII
23JHA49TEZ
Created by admin on Fri Jul 07 00:17:04 UTC 2023 , Edited by admin on Fri Jul 07 00:17:04 UTC 2023
PRIMARY
CAS
1220999-09-6
Created by admin on Fri Jul 07 00:17:04 UTC 2023 , Edited by admin on Fri Jul 07 00:17:04 UTC 2023
PRIMARY
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