Genipin

methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Also Known As: Genipin, (+)-Genipin, Genipin/, Methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate, I14-1955, BRD-A04308630-001-01-6, 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester, 1,4a,5,7a-Tetrahydro-1-hydroxy-7-(hydroxymethyl)-cyclopenta(c)pyran-4-carboxylic acid methyl ester, Methyl (1S,2R,6S)-2-Hydroxy-9-(hydroxymethyl)-3-oxabicyclo[4.3.0]nona-4,8-diene-5-carboxylate, Methyl 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate #, Cyclopenta(c)pyran-4-carboxylic acid, 1,4a-alpha,5,7a-alpha-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester, Cyclopenta[c]pyran-4-carboxylic acid, 1,4a,5,7a-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester, [1R-(1.alpha.,4a.alpha.,7a.alpha.)]-, Cyclopenta[c]pyran-4-carboxylic acid, 1,4a.alpha.,5,7a.alpha.-tetrahydro-1-hydroxy-7-(hydroxymethyl)-, methyl ester, methyl (1R,4aS,7aS)-1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

Molecular Formula	C11H14O5
Molecular Weight	226.08412 g/mol
LogP	-0.05
Topological Polar Surface Area	75.99 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	226.08412
Heavy Atoms	16
Complexity	357

Chemical Identifiers

CAS Number	6902-77-8
SMILES	COC(=O)C1=COC(C2C1CC=C2CO)O