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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24O7
Molecular Weight 364.3897
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMADERIN C

SMILES

[H][C@@]12CC(=O)[C@@]34CO[C@]5(C)[C@@H](OC(=O)[C@H]35)[C@H](O)[C@]4([H])[C@@]1(C)[C@H](O)[C@@H](O)C=C2C

InChI

InChIKey=PDGZDUYWUXJXRO-ANPVQLFHSA-N
InChI=1S/C19H24O7/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/h4,8-9,11-15,20,22-23H,5-6H2,1-3H3/t8-,9-,11+,12+,13-,14+,15-,17-,18-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H24O7
Molecular Weight 364.3897
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:22:05 GMT 2023
Edited
by admin
on Sat Dec 16 14:22:05 GMT 2023
Record UNII
FBI7IEU05A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAMADERIN C
Common Name English
2H-5A,2,5-(METHANOXYMETHENO)NAPHTH(1,2-D)OXEPIN-4,6(1H,5H)-DIONE, 7,7A,10,11,11A,11B-HEXAHYDRO-1,10,11-TRIHYDROXY-8,11A,14-TRIMETHYL-, (1R-(1.ALPHA.,2.ALPHA.,5.ALPHA.,5A.ALPHA.,7A.BETA.,10.BETA.,11.ALPHA.,11A.ALPHA.,11B.BETA.,14S*))-
Systematic Name English
SAMADERIN C [MI]
Common Name English
2H-5A,2,5-(METHANOXYMETHENO)NAPHTH(1,2-D)OXEPIN-4,6(1H,5H)-DIONE, 7,7A,10,11,11A,11B-HEXAHYDRO-1,10,11-TRIHYDROXY-8,11A,14-TRIMETHYL-, (1R,2S,5R,5AR,7AS,10S,11S,11AS,11BR,14S)-
Systematic Name English
SAMADERINE C
Common Name English
Code System Code Type Description
CAS
857365-57-2
Created by admin on Sat Dec 16 14:22:05 GMT 2023 , Edited by admin on Sat Dec 16 14:22:05 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
70697767
Created by admin on Sat Dec 16 14:22:05 GMT 2023 , Edited by admin on Sat Dec 16 14:22:05 GMT 2023
PRIMARY
MERCK INDEX
m9752
Created by admin on Sat Dec 16 14:22:05 GMT 2023 , Edited by admin on Sat Dec 16 14:22:05 GMT 2023
PRIMARY
FDA UNII
FBI7IEU05A
Created by admin on Sat Dec 16 14:22:05 GMT 2023 , Edited by admin on Sat Dec 16 14:22:05 GMT 2023
PRIMARY
CAS
803-21-4
Created by admin on Sat Dec 16 14:22:05 GMT 2023 , Edited by admin on Sat Dec 16 14:22:05 GMT 2023
PRIMARY