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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36O4
Molecular Weight 436.583
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of COAGULIN D

SMILES

[H][C@@]1(CC(C)=C(C)C(=O)O1)[C@]2(C)O[C@@]34CC[C@@H]2[C@@]3(C)CC[C@@]5([H])[C@@]4([H])CC=C6C=CCC(=O)[C@]56C

InChI

InChIKey=VURCSOXQTCBYLG-PLHQXEFPSA-N
InChI=1S/C28H36O4/c1-16-15-23(31-24(30)17(16)2)27(5)21-12-14-28(32-27)20-10-9-18-7-6-8-22(29)26(18,4)19(20)11-13-25(21,28)3/h6-7,9,19-21,23H,8,10-15H2,1-5H3/t19-,20+,21+,23+,25+,26-,27+,28+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
COAGULIN D
Common Name English
ERGOSTA-2,5,24-TRIEN-26-OIC ACID, 14,20-EPOXY-22-HYDROXY-1-OXO-, .DELTA.-LACTONE, (17.ALPHA.,20R,22R)-
Systematic Name English
Code System Code Type Description
FDA UNII
THB77SC25A
Created by admin on Sat Dec 16 17:29:56 GMT 2023 , Edited by admin on Sat Dec 16 17:29:56 GMT 2023
PRIMARY
CAS
207678-77-1
Created by admin on Sat Dec 16 17:29:56 GMT 2023 , Edited by admin on Sat Dec 16 17:29:56 GMT 2023
PRIMARY
PUBCHEM
162368375
Created by admin on Sat Dec 16 17:29:56 GMT 2023 , Edited by admin on Sat Dec 16 17:29:56 GMT 2023
PRIMARY