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Details

Stereochemistry UNKNOWN
Molecular Formula C29H40N2O6
Molecular Weight 512.6377
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XANTHOBACCIN B

SMILES

CC[C@H]1C[C@H]2C[C@H]3[C@H]([C@@H]2[C@H]1C)C(O)C[C@H]4\C=C\C(=O)C5=C(O)[C@@H](NC5=O)[C@H](O)CCNC(=O)C=CC[C@H]34

InChI

InChIKey=ORNAXAMDOONKBX-LZNOBSJQSA-N
InChI=1S/C29H40N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h4,6-8,14-19,21-22,24-25,27,33-34,36H,3,5,9-13H2,1-2H3,(H,30,35)(H,31,37)/b6-4-,8-7+/t14-,15-,16+,17-,18-,19+,21+,22?,24+,25-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H40N2O6
Molecular Weight 512.6377
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 10 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:25:44 GMT 2025
Edited
by admin
on Mon Mar 31 22:25:44 GMT 2025
Record UNII
F6E8P0RECD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XANTHOBACCIN B
Common Name English
AFA-0520
Preferred Name English
Code System Code Type Description
CAS
218296-14-1
Created by admin on Mon Mar 31 22:25:44 GMT 2025 , Edited by admin on Mon Mar 31 22:25:44 GMT 2025
PRIMARY
PUBCHEM
72941765
Created by admin on Mon Mar 31 22:25:44 GMT 2025 , Edited by admin on Mon Mar 31 22:25:44 GMT 2025
PRIMARY
FDA UNII
F6E8P0RECD
Created by admin on Mon Mar 31 22:25:44 GMT 2025 , Edited by admin on Mon Mar 31 22:25:44 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY