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

Details

Stereochemistry ABSOLUTE
Molecular Formula C41H67NO11
Molecular Weight 749.9708
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VENTURICIDIN A

SMILES

[H][C@@]1(C[C@@H](OC(N)=O)[C@H](O)[C@@H](C)O1)O[C@@H]2CCCC=C(C)[C@@]3([H])O[C@](O)(CC=C3C)CC(=O)O[C@]([H])([C@H](C)C[C@@H](C)[C@H](O)[C@H](C)C(=O)CC)[C@H](C)C[C@@H](C)\C=C\2

InChI

InChIKey=HHQKNFDAEDTRJK-KXQVSFSQSA-N
InChI=1S/C41H67NO11/c1-10-32(43)29(8)36(45)26(5)20-28(7)38-27(6)19-23(2)15-16-31(50-35-21-33(51-40(42)47)37(46)30(9)49-35)14-12-11-13-24(3)39-25(4)17-18-41(48,53-39)22-34(44)52-38/h13,15-17,23,26-31,33,35-39,45-46,48H,10-12,14,18-22H2,1-9H3,(H2,42,47)/b16-15+,24-13-/t23-,26+,27+,28+,29+,30+,31+,33+,35-,36-,37+,38-,39+,41+/m0/s1

HIDE SMILES / InChI

Molecular Formula C41H67NO11
Molecular Weight 749.9708
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:19:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:09 GMT 2023
Record UNII
46L30W9XBB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VENTURICIDIN A
MI  
Common Name English
VENTURICIDIN A [MI]
Common Name English
VENTURICIDIN B, 3'-CARBAMATE
Common Name English
VENTURICIDIN B 3'-CARBAMATE
Common Name English
AABOMYCIN A1
Common Name English
4,21-DIOXABICYCLO(15.3.1)HENEICOSA-9,15,18-TRIEN-3-ONE, 11-((3-O-(AMINOCARBONYL)-2,6-DIDEOXY-.BETA.-D-ARABINO-HEXOPYRANOSYL)OXY)-1-HYDROXY-5-((1R,3R,4S,5S)-4-HYDROXY-1,3,5-TRIMETHYL-6-OXOOCTYL)-6,8,16,18-TETRAMETHYL-, (1R,5S,6R,8R,9E,11R,15E,17R)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID201317371
Created by admin on Sat Dec 16 08:19:09 GMT 2023 , Edited by admin on Sat Dec 16 08:19:09 GMT 2023
PRIMARY
CAS
33538-71-5
Created by admin on Sat Dec 16 08:19:09 GMT 2023 , Edited by admin on Sat Dec 16 08:19:09 GMT 2023
PRIMARY
PUBCHEM
125181285
Created by admin on Sat Dec 16 08:19:09 GMT 2023 , Edited by admin on Sat Dec 16 08:19:09 GMT 2023
PRIMARY
MERCK INDEX
m11411
Created by admin on Sat Dec 16 08:19:09 GMT 2023 , Edited by admin on Sat Dec 16 08:19:09 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
251-568-3
Created by admin on Sat Dec 16 08:19:09 GMT 2023 , Edited by admin on Sat Dec 16 08:19:09 GMT 2023
PRIMARY
FDA UNII
46L30W9XBB
Created by admin on Sat Dec 16 08:19:09 GMT 2023 , Edited by admin on Sat Dec 16 08:19:09 GMT 2023
PRIMARY