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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H22O7
Molecular Weight 362.3738
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMADERIN B

SMILES

CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1CC(=O)[C@@]34CO[C@]5(C)[C@@H](OC(=O)[C@H]35)[C@H](O)[C@H]24

InChI

InChIKey=CVLVYBSPYHCGGU-VQXUUFQGSA-N
InChI=1S/C19H22O7/c1-7-4-9(20)14(23)17(2)8(7)5-10(21)19-6-25-18(3)13(19)16(24)26-15(18)11(22)12(17)19/h4,8,11-15,22-23H,5-6H2,1-3H3/t8-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
SAMADERIN B
Common Name English
2H-5A,2,5-(METHANOXYMETHENO)NAPHTH(1,2-D)OXEPIN-4,6,10(5H)-TRIONE, 1,7,7A,11,11A,11B-HEXAHYDRO-1,11-DIHYDROXY-8,11A,14-TRIMETHYL-, (1.ALPHA.,2.ALPHA.,5.ALPHA.,5A.ALPHA.,7A.BETA.,11.ALPHA.,11A.ALPHA.,11B.BETA.,14S*)-
Preferred Name English
SAMADERIN B [MI]
Common Name English
2H-5A,2,5-(METHANOXYMETHENO)NAPHTH(1,2-D)OXEPIN-4,6,10(5H)-TRIONE, 1,7,7A,11,11A,11B-HEXAHYDRO-1,11-DIHYDROXY-8,11A,14-TRIMETHYL-, (1.ALPHA.,2.ALPHA.,5.ALPHA.,5A.ALPHA.,7A.BETA.,11.ALPHA.,11A.ALPHA.,11B.BETA.,14S*)-(±)-
Common Name English
Code System Code Type Description
PUBCHEM
11035822
Created by admin on Wed Apr 02 01:08:40 GMT 2025 , Edited by admin on Wed Apr 02 01:08:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID50109921
Created by admin on Wed Apr 02 01:08:40 GMT 2025 , Edited by admin on Wed Apr 02 01:08:40 GMT 2025
PRIMARY
FDA UNII
OCY7Y83SPV
Created by admin on Wed Apr 02 01:08:40 GMT 2025 , Edited by admin on Wed Apr 02 01:08:40 GMT 2025
PRIMARY
CAS
158570-40-2
Created by admin on Wed Apr 02 01:08:40 GMT 2025 , Edited by admin on Wed Apr 02 01:08:40 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
803-22-5
Created by admin on Wed Apr 02 01:08:40 GMT 2025 , Edited by admin on Wed Apr 02 01:08:40 GMT 2025
PRIMARY
MERCK INDEX
m9752
Created by admin on Wed Apr 02 01:08:40 GMT 2025 , Edited by admin on Wed Apr 02 01:08:40 GMT 2025
PRIMARY