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

Details

Stereochemistry ABSOLUTE
Molecular Formula C41H63NO15.C2H4O2
Molecular Weight 869.9886
Optical Activity UNSPECIFIED
Defined Stereocenters 20 / 20
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROTOVERATRINE B ACETATE

SMILES

CC(O)=O.[H][C@@]12C[C@]34O[C@]5(O)[C@H](CC[C@@]3(C)[C@]5([H])[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]4([H])[C@]1(O)[C@@H](OC(=O)[C@H](C)CC)[C@H](O)[C@@]6([H])[C@@]2([H])CN7C[C@@H](C)CC[C@@]7([H])[C@@]6(C)O)OC(=O)[C@](C)(O)[C@@H](C)O

InChI

InChIKey=ONLYWKYYAQXZKP-OKVAQDKSSA-N
InChI=1S/C41H63NO15.C2H4O2/c1-10-19(3)34(47)56-33-28(46)27-23(17-42-16-18(2)11-12-25(42)38(27,9)50)24-15-39-32(40(24,33)51)30(54-22(6)45)29(53-21(5)44)31-36(39,7)14-13-26(41(31,52)57-39)55-35(48)37(8,49)20(4)43;1-2(3)4/h18-20,23-33,43,46,49-52H,10-17H2,1-9H3;1H3,(H,3,4)/t18-,19+,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37+,38+,39+,40-,41-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PROTOVERATRINE B ACETATE
Common Name English
CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 3-((2R,3R)-2,3-DIHYDROXY-2-METHYLBUTANOATE) 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-, ACETATE
Common Name English
Code System Code Type Description
PUBCHEM
91800112
Created by admin on Sat Dec 16 08:46:00 UTC 2023 , Edited by admin on Sat Dec 16 08:46:00 UTC 2023
PRIMARY
FDA UNII
X8GH0703YA
Created by admin on Sat Dec 16 08:46:00 UTC 2023 , Edited by admin on Sat Dec 16 08:46:00 UTC 2023
PRIMARY