U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C51H71NO15
Molecular Weight 938.1071
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 7
Charge 0

SHOW SMILES / InChI
Structure of PHENELFAMYCIN B

SMILES

CO[C@@H]([C@@H](C)[C@H]1C[C@H](O)[C@@H](O1)\C=C\C=C\C=C\C(O)=O)C(\C)=C\C=C\CNC(=O)[C@@H](CO[C@H]2C[C@H](OC)[C@H](O)[C@H](C)O2)[C@@]3(O)O[C@@H](\C=C\C=C/C)C(C)(C)[C@@H](OC(=O)CC4=CC=CC=C4)[C@H]3O

InChI

InChIKey=VLBWFLKRBCOSGD-NMMXFFNGSA-N
InChI=1S/C51H71NO15/c1-9-10-14-25-41-50(5,6)48(66-43(56)28-35-22-15-13-16-23-35)47(58)51(60,67-41)36(31-63-44-30-40(61-7)45(57)34(4)64-44)49(59)52-27-20-19-21-32(2)46(62-8)33(3)39-29-37(53)38(65-39)24-17-11-12-18-26-42(54)55/h9-26,33-34,36-41,44-48,53,57-58,60H,27-31H2,1-8H3,(H,52,59)(H,54,55)/b10-9-,12-11+,20-19+,24-17+,25-14+,26-18+,32-21+/t33-,34-,36+,37-,38-,39+,40-,41-,44+,45+,46+,47+,48-,51+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PHENELFAMYCIN B
Preferred Name English
Code System Code Type Description
FDA UNII
OBF83LIZ1S
Created by admin on Mon Mar 31 22:54:13 GMT 2025 , Edited by admin on Mon Mar 31 22:54:13 GMT 2025
PRIMARY
CAS
118498-92-3
Created by admin on Mon Mar 31 22:54:13 GMT 2025 , Edited by admin on Mon Mar 31 22:54:13 GMT 2025
PRIMARY
PUBCHEM
119057393
Created by admin on Mon Mar 31 22:54:13 GMT 2025 , Edited by admin on Mon Mar 31 22:54:13 GMT 2025
PRIMARY