Azafrin

(2E,4E,6E,8E,10E,12E,14E)-15-[(1R,2R)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenoic acid

Also Known As: Azafrin|Escobedin|AZAFRIN [MI]|5,6-Dihydro,5,6-dihydroxy-10'-apo-beta,psi-carotenoic acid|C.I. 75110|(2E,4E,6E,8E,10E,12E,14E)-15-[(1R,2R)-1,2-dihydroxy-2,6,6-trimethylcyclohexyl]-4,9,13-trimethylpentadeca-2,4,6,8,10,12,14-heptaenoic acid|(5R,6R)-5,6-Dihydro-5,6-dihydroxy-10 -apo-beta,psi-carotenoic acid|(5R,6R)-5,6-dihydro-5,6-dihydroxy-10'-apo-beta,psi-carotenoic acid|(5R,6R)-5,6-Dihydroxy-5,6-dihydro-10'-apo-beta-caroten-10'-oic acid|10'-Apo-beta,psi-carotenoic acid, 5,6-dihydro-5,6-dihydroxy-, (5R,6R)-|10'-Apo-.beta.,.psi.-carotenoic acid, 5,6-dihydro-5,6-dihydroxy-, (5R,6R)-|(2E,4E,6E,8E,10E,12E,14E)-15-((1R,2R)-1,2-Dihydroxy-2,6,6-trimethylcyclohexyl)-4,9,13-trimethyl-2,4,6,8,10,12,14-pentadecaheptaenoic acid|2,4,6,8,10,12,14-PENTADECAHEPTAENOIC ACID, 15-((1R,2R)-1,2-DIHYDROXY-2,6,6-TRIMETHYLCYCLOHEXYL)-4,9,13-TRIMETHYL-, (2E,4E,6E,8E,10E,12E,14E)-

Molecular Formula	C27H38O4
Molecular Weight	426.277 g/mol
LogP	5.8269
Topological Polar Surface Area	77.76 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	8
Exact Mass	426.277
Monoisotopic Mass	426.277
Heavy Atoms	31
Complexity	826.4622

Chemical Identifiers

CAS Number	507-61-9
SMILES	C/C(=C\C=C\C=C(/C)\C=C\C(=O)O)/C=C/C=C(\C)/C=C/[C@@]1([C@](CCCC1(C)C)(C)O)O