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

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H56O14
Molecular Weight 700.8107
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHALCOMYCIN

SMILES

CO[C@H]1C[C@@H](C)O[C@@H](O[C@H]2[C@@H](C)C[C@](C)(O)C(=O)\C=C\[C@@H]3O[C@H]3[C@H](CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)[C@@H](C)OC(=O)\C=C\[C@@H]2C)[C@@H]1O

InChI

InChIKey=KLGADJPDTCIJLO-RVMREVNESA-N
InChI=1S/C35H56O14/c1-17-10-13-26(37)46-20(4)22(16-44-34-32(43-9)31(42-8)27(38)21(5)47-34)30-23(48-30)11-12-25(36)35(6,40)15-18(2)29(17)49-33-28(39)24(41-7)14-19(3)45-33/h10-13,17-24,27-34,38-40H,14-16H2,1-9H3/b12-11+,13-10+/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+,29+,30-,31+,32+,33-,34+,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H56O14
Molecular Weight 700.8107
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 17 / 17
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 17:36:08 GMT 2025
Edited
by admin
on Mon Mar 31 17:36:08 GMT 2025
Record UNII
DS3HL8ZKNO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-150439
Preferred Name English
CHALCOMYCIN
MI  
Common Name English
CHALCOMYCIN A
Common Name English
CHALCOMYCIN [MI]
Common Name English
Code System Code Type Description
CAS
1405-38-5
Created by admin on Mon Mar 31 17:36:08 GMT 2025 , Edited by admin on Mon Mar 31 17:36:08 GMT 2025
SUPERSEDED
MERCK INDEX
m3305
Created by admin on Mon Mar 31 17:36:08 GMT 2025 , Edited by admin on Mon Mar 31 17:36:08 GMT 2025
PRIMARY Merck Index
NSC
150439
Created by admin on Mon Mar 31 17:36:08 GMT 2025 , Edited by admin on Mon Mar 31 17:36:08 GMT 2025
PRIMARY
PUBCHEM
76972086
Created by admin on Mon Mar 31 17:36:08 GMT 2025 , Edited by admin on Mon Mar 31 17:36:08 GMT 2025
PRIMARY
FDA UNII
DS3HL8ZKNO
Created by admin on Mon Mar 31 17:36:08 GMT 2025 , Edited by admin on Mon Mar 31 17:36:08 GMT 2025
PRIMARY
EPA CompTox
DTXSID301318196
Created by admin on Mon Mar 31 17:36:08 GMT 2025 , Edited by admin on Mon Mar 31 17:36:08 GMT 2025
PRIMARY
CAS
20283-48-1
Created by admin on Mon Mar 31 17:36:08 GMT 2025 , Edited by admin on Mon Mar 31 17:36:08 GMT 2025
PRIMARY