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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

C\C=C(\C)C(=O)O[C@@H]1C[C@H](C)[C@H]2CC(=O)C(C)=C2C[C@@H]1C(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
TORILIN [MI]
Preferred 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
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 Mon Mar 31 21:51:37 GMT 2025 , Edited by admin on Mon Mar 31 21:51:37 GMT 2025
PRIMARY
FDA UNII
R81X95X49L
Created by admin on Mon Mar 31 21:51:37 GMT 2025 , Edited by admin on Mon Mar 31 21:51:37 GMT 2025
PRIMARY
MERCK INDEX
m10980
Created by admin on Mon Mar 31 21:51:37 GMT 2025 , Edited by admin on Mon Mar 31 21:51:37 GMT 2025
PRIMARY Merck Index
CAS
1411-16-1
Created by admin on Mon Mar 31 21:51:37 GMT 2025 , Edited by admin on Mon Mar 31 21:51:37 GMT 2025
SUPERSEDED
CAS
26296-53-7
Created by admin on Mon Mar 31 21:51:37 GMT 2025 , Edited by admin on Mon Mar 31 21:51:37 GMT 2025
SUPERSEDED
PUBCHEM
6450226
Created by admin on Mon Mar 31 21:51:37 GMT 2025 , Edited by admin on Mon Mar 31 21:51:37 GMT 2025
PRIMARY