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Details

Stereochemistry ABSOLUTE
Molecular Formula C31H43NO5
Molecular Weight 509.6768
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIACETYLJERVINE

SMILES

C[C@@H]1[C@H]2[C@@H](C[C@H](C)CN2C(C)=O)O[C@]13CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@]6(C)[C@H]5C(=O)C4=C3C)OC(C)=O

InChI

InChIKey=AETQSOZEKYWGIJ-ATYUTGPHSA-N
InChI=1S/C31H43NO5/c1-16-13-25-28(32(15-16)19(4)33)18(3)31(37-25)12-10-23-24-8-7-21-14-22(36-20(5)34)9-11-30(21,6)27(24)29(35)26(23)17(31)2/h7,16,18,22-25,27-28H,8-15H2,1-6H3/t16-,18+,22-,23-,24-,25+,27+,28-,30-,31-/m0/s1

HIDE SMILES / InChI

Molecular Formula C31H43NO5
Molecular Weight 509.6768
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:34:38 GMT 2025
Edited
by admin
on Mon Mar 31 23:34:38 GMT 2025
Record UNII
O8IM28G02S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-406352
Preferred Name English
DIACETYLJERVINE
MI  
Common Name English
DIACETYLJERVINE [MI]
Common Name English
JERVINE, N-ACETYL-, ACETATE
Common Name English
VERATRAMAN-11-ONE, 28-ACETYL-3-(ACETYLOXY)-17,23-EPOXY-, (3.BETA.,23.BETA.)-
Common Name English
N,O-DIACETYLJERVINE
Common Name English
Code System Code Type Description
PUBCHEM
72941486
Created by admin on Mon Mar 31 23:34:38 GMT 2025 , Edited by admin on Mon Mar 31 23:34:38 GMT 2025
PRIMARY
NSC
406352
Created by admin on Mon Mar 31 23:34:38 GMT 2025 , Edited by admin on Mon Mar 31 23:34:38 GMT 2025
PRIMARY
EPA CompTox
DTXSID20997569
Created by admin on Mon Mar 31 23:34:38 GMT 2025 , Edited by admin on Mon Mar 31 23:34:38 GMT 2025
PRIMARY
MERCK INDEX
m6582
Created by admin on Mon Mar 31 23:34:38 GMT 2025 , Edited by admin on Mon Mar 31 23:34:38 GMT 2025
PRIMARY Merck Index
FDA UNII
O8IM28G02S
Created by admin on Mon Mar 31 23:34:38 GMT 2025 , Edited by admin on Mon Mar 31 23:34:38 GMT 2025
PRIMARY
CAS
7622-06-2
Created by admin on Mon Mar 31 23:34:38 GMT 2025 , Edited by admin on Mon Mar 31 23:34:38 GMT 2025
PRIMARY