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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32O5
Molecular Weight 376.4865
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of TORILIN

SMILES

[H][C@]12CC(=O)C(C)=C1C[C@@H]([C@@H](C[C@@H]2C)OC(=O)C(\C)=C/C)C(C)(C)OC(C)=O

InChI

InChIKey=IQWVFAXBJQKUDH-TXCQZRSTSA-N
InChI=1S/C22H32O5/c1-8-12(2)21(25)26-20-9-13(3)16-11-19(24)14(4)17(16)10-18(20)22(6,7)27-15(5)23/h8,13,16,18,20H,9-11H2,1-7H3/b12-8-/t13-,16+,18-,20+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TORILIN
MI  
Common Name English
2-BUTENOIC ACID, 2-METHYL-, 5-(1-(ACETYLOXY)-1-METHYLETHYL)-1,2,4,5,6,7,8,8A-OCTAHYDRO-3,8-DIMETHYL-
Systematic Name English
TORILIN [MI]
Common Name English
2-BUTENOIC ACID, 2-METHYL-, (5S,6R,8S,8AR)-5-(1-(ACETYLOXY)-1-METHYLETHYL)-1,2,4,5,6,7,8,8A-OCTAHYDRO-3,8-DIMETHYL-2-OXO-6-AZULENYL ESTER, (2Z)-
Systematic Name English
2-OXO-6-AZULENYL ESTER, (5S-(5.ALPHA.,6.ALPHA.(Z),8.ALPHA.,8A.ALPHA.))-
Systematic Name English
1.BETA.-GUAI-4-EN-3-ONE, 8.BETA.,11-DIHYDROXY-, 11-ACETATE 2-METHYLCROTONATE, (Z)-
Systematic Name English
Code System Code Type Description
CAS
13018-10-5
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY
FDA UNII
R81X95X49L
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY
MERCK INDEX
m10980
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY Merck Index
CAS
1411-16-1
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
SUPERSEDED
CAS
26296-53-7
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
SUPERSEDED
PUBCHEM
6450226
Created by admin on Sat Dec 16 08:04:09 GMT 2023 , Edited by admin on Sat Dec 16 08:04:09 GMT 2023
PRIMARY