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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H39NO3.C2H4O2
Molecular Weight 485.6554
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JERVINE ACETATE

SMILES

CC(O)=O.[H][C@@]12C[C@H](C)CN[C@@]1([H])[C@@H](C)[C@@]3(CC[C@]4([H])C(C(=O)[C@@]5([H])[C@@]4([H])CC=C6C[C@@H](O)CC[C@]56C)=C3C)O2

InChI

InChIKey=JEDVQALXWXZHFN-AVEQMEPMSA-N
InChI=1S/C27H39NO3.C2H4O2/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2;1-2(3)4/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3;1H3,(H,3,4)/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
JERVINE ACETATE
Common Name English
VERATRAMAN-11-ONE, 17,23-EPOXY-3-HYDROXY-, (3.BETA.,23.BETA.)-, ACETATE (SALT)
Systematic Name English
Code System Code Type Description
PUBCHEM
91800144
Created by admin on Sat Dec 16 08:47:05 UTC 2023 , Edited by admin on Sat Dec 16 08:47:05 UTC 2023
PRIMARY
FDA UNII
K01ZXO2SIH
Created by admin on Sat Dec 16 08:47:05 UTC 2023 , Edited by admin on Sat Dec 16 08:47:05 UTC 2023
PRIMARY
CAS
64047-51-4
Created by admin on Sat Dec 16 08:47:05 UTC 2023 , Edited by admin on Sat Dec 16 08:47:05 UTC 2023
PRIMARY
EPA CompTox
DTXSID70982228
Created by admin on Sat Dec 16 08:47:05 UTC 2023 , Edited by admin on Sat Dec 16 08:47:05 UTC 2023
PRIMARY