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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32O5
Molecular Weight 400.5079
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMARCANDIN

SMILES

C[C@@]1(O)CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1COC3=CC4=C(C=CC(=O)O4)C=C3

InChI

InChIKey=WNANPKYNOALKIV-XARGLDOUSA-N
InChI=1S/C24H32O5/c1-22(2)18-9-12-24(4,27)19(23(18,3)11-10-20(22)25)14-28-16-7-5-15-6-8-21(26)29-17(15)13-16/h5-8,13,18-20,25,27H,9-12,14H2,1-4H3/t18-,19+,20+,23-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
2H-1-BENZOPYRAN-2-ONE, 7-(((1S,2R,4AR,6R,8AS)-DECAHYDRO-2,6-DIHYDROXY-2,5,5,8A-TETRAMETHYL-1-NAPHTHALENYL)METHOXY)-
Preferred Name English
SAMARCANDIN
Common Name English
COUMARIN, 7-((DECAHYDRO-2,6-DIHYDROXY-2,5,5,8A-TETRAMETHYL-1-NAPHTHYL)METHOXY)-
Common Name English
2H-1-BENZOPYRAN-2-ONE, 7-((DECAHYDRO-2,6-DIHYDROXY-2,5,5,8A-TETRAMETHYL-1-NAPHTHALENYL)METHOXY)-, (1S-(1.ALPHA.,2.BETA.,4A.BETA.,6.BETA.,8A.ALPHA.))-
Common Name English
SAMARKANDIN
Common Name English
Code System Code Type Description
CAS
28699-16-3
Created by admin on Mon Mar 31 20:12:47 GMT 2025 , Edited by admin on Mon Mar 31 20:12:47 GMT 2025
PRIMARY
EPA CompTox
DTXSID20182857
Created by admin on Mon Mar 31 20:12:47 GMT 2025 , Edited by admin on Mon Mar 31 20:12:47 GMT 2025
PRIMARY
PUBCHEM
71587098
Created by admin on Mon Mar 31 20:12:47 GMT 2025 , Edited by admin on Mon Mar 31 20:12:47 GMT 2025
PRIMARY
FDA UNII
67V8EQ6Y2Q
Created by admin on Mon Mar 31 20:12:47 GMT 2025 , Edited by admin on Mon Mar 31 20:12:47 GMT 2025
PRIMARY