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Details

Stereochemistry ABSOLUTE
Molecular Formula C53H78N2O13
Molecular Weight 951.192
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of L-732531

SMILES

[H][C@]12O[C@](O)([C@H](C)C[C@@H]1OC)C(=O)C(=O)N3CCCC[C@@]3([H])C(=O)O[C@@H]([C@H](C)[C@@H](O)CC(=O)[C@H](CC)\C=C(C)\C[C@H](C)C[C@@H]2OC)C(\C)=C\[C@@H]4CC[C@@H](OC5=CC6=C(C=C5)N(CCO)C=C6)[C@@H](C4)OC

InChI

InChIKey=UTOJCEZANIVKJJ-IUQQQLKSSA-N
InChI=1S/C53H78N2O13/c1-10-37-24-31(2)23-32(3)25-46(64-8)49-47(65-9)27-34(5)53(62,68-49)50(59)51(60)55-19-12-11-13-41(55)52(61)67-48(35(6)42(57)30-43(37)58)33(4)26-36-14-17-44(45(28-36)63-7)66-39-15-16-40-38(29-39)18-20-54(40)21-22-56/h15-16,18,20,24,26,29,32,34-37,41-42,44-49,56-57,62H,10-14,17,19,21-23,25,27-28,30H2,1-9H3/b31-24+,33-26+/t32-,34+,35+,36-,37+,41-,42-,44+,45+,46-,47-,48+,49+,53+/m0/s1

HIDE SMILES / InChI

Molecular Formula C53H78N2O13
Molecular Weight 951.192
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:40:22 GMT 2023
Edited
by admin
on Fri Dec 15 15:40:22 GMT 2023
Record UNII
7VM80M10N6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-732531
Common Name English
32-O-(1-HYDROXYETHYLINDOL-5-YL)ASCOMYCIN
Common Name English
Code System Code Type Description
FDA UNII
7VM80M10N6
Created by admin on Fri Dec 15 15:40:22 GMT 2023 , Edited by admin on Fri Dec 15 15:40:22 GMT 2023
PRIMARY
CAS
148365-48-4
Created by admin on Fri Dec 15 15:40:22 GMT 2023 , Edited by admin on Fri Dec 15 15:40:22 GMT 2023
PRIMARY
PUBCHEM
9876331
Created by admin on Fri Dec 15 15:40:22 GMT 2023 , Edited by admin on Fri Dec 15 15:40:22 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY