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

Details

Stereochemistry ABSOLUTE
Molecular Formula C36H55NO11.C2H4O2
Molecular Weight 737.874
Optical Activity UNSPECIFIED
Defined Stereocenters 17 / 17
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NEOGERMITRINE ACETATE

SMILES

CC(O)=O.[H][C@@]12C[C@]34O[C@]5(O)[C@H](CC[C@@]3(C)[C@]5([H])C[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(C)=O

InChI

InChIKey=XXCITICIYJOHEG-WVWQPPBESA-N
InChI=1S/C36H55NO11.C2H4O2/c1-8-18(3)31(41)47-30-28(40)27-21(16-37-15-17(2)9-10-25(37)33(27,7)42)22-14-34-29(35(22,30)43)23(45-19(4)38)13-24-32(34,6)12-11-26(46-20(5)39)36(24,44)48-34;1-2(3)4/h17-18,21-30,40,42-44H,8-16H2,1-7H3;1H3,(H,3,4)/t17-,18+,21-,22-,23+,24-,25-,26-,27+,28+,29+,30-,32-,33+,34+,35-,36-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NEOGERMITRINE ACETATE
Common Name English
CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 3,7-DIACETATE 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-, ACETATE
Common Name English
Code System Code Type Description
FDA UNII
W12C96XO5G
Created by admin on Sat Dec 16 08:46:00 GMT 2023 , Edited by admin on Sat Dec 16 08:46:00 GMT 2023
PRIMARY
PUBCHEM
91799749
Created by admin on Sat Dec 16 08:46:00 GMT 2023 , Edited by admin on Sat Dec 16 08:46:00 GMT 2023
PRIMARY