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

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H44O4
Molecular Weight 432.6359
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROGENIN

SMILES

[H][C@]12C[C@@]3([H])[C@]4([H])C[C@H](O)[C@@]5([H])C[C@@H](O)CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]6(CC[C@@H](C)CO6)O2

InChI

InChIKey=PZNPHSFXILSZTM-JUGSJECZSA-N
InChI=1S/C27H44O4/c1-15-5-10-27(30-14-15)16(2)24-23(31-27)13-20-18-12-22(29)21-11-17(28)6-8-25(21,3)19(18)7-9-26(20,24)4/h15-24,28-29H,5-14H2,1-4H3/t15-,16+,17+,18-,19+,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CHLOROGENIN
MI  
Common Name English
CHLOROGENIN [MI]
Common Name English
SPIROSTAN-3,6-DIOL, (3.BETA.,5.ALPHA.,6.ALPHA.,25R)-
Systematic Name English
(25R)-5.ALPHA.-SPIROSTAN-3.BETA.,6.ALPHA.-DIOL
Common Name English
Code System Code Type Description
MERCK INDEX
m3414
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY Merck Index
EPA CompTox
DTXSID30903919
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
PUBCHEM
12303065
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
CAS
562-34-5
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY
FDA UNII
K8Z178V1DG
Created by admin on Sat Dec 16 08:09:04 GMT 2023 , Edited by admin on Sat Dec 16 08:09:04 GMT 2023
PRIMARY