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

Details

Stereochemistry ABSOLUTE
Molecular Formula C31H47NO10
Molecular Weight 593.7056
Optical Activity UNSPECIFIED
Defined Stereocenters 16 / 16
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GERMINE 3,16-DIACETATE

SMILES

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

InChI

InChIKey=LDTMLMHQMYAMSL-YHCVCRLOSA-N
InChI=1S/C31H47NO10/c1-14-6-7-21-28(5,37)23-17(13-32(21)12-14)18-11-29-25(30(18,38)26(36)24(23)41-16(3)34)19(35)10-20-27(29,4)9-8-22(40-15(2)33)31(20,39)42-29/h14,17-26,35-39H,6-13H2,1-5H3/t14-,17-,18-,19+,20-,21-,22-,23+,24+,25+,26-,27-,28+,29+,30-,31-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GERMINE 3,16-DIACETATE
Common Name English
CEVANE-3,4,7,14,15,16,20-HEPTOL, 4,9-EPOXY-, 3,16- DIACETATE, (3.BETA.,4.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00947244
Created by admin on Fri Dec 15 15:35:55 GMT 2023 , Edited by admin on Fri Dec 15 15:35:55 GMT 2023
PRIMARY
PUBCHEM
76956308
Created by admin on Fri Dec 15 15:35:55 GMT 2023 , Edited by admin on Fri Dec 15 15:35:55 GMT 2023
PRIMARY
CAS
24381-53-1
Created by admin on Fri Dec 15 15:35:55 GMT 2023 , Edited by admin on Fri Dec 15 15:35:55 GMT 2023
PRIMARY
FDA UNII
HS0EQ09MX5
Created by admin on Fri Dec 15 15:35:55 GMT 2023 , Edited by admin on Fri Dec 15 15:35:55 GMT 2023
PRIMARY