Caiophoraenin

(1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one

Also Known As: caiophoraenin|ZVEZLXLQLYOFMK-DRZZNBKRSA-|J1.990.359A|(1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one|1alpha-methoxy-6alpha,10-dihydroxyisoepiiridomyrmecin|(1S)-7alpha-(Hydroxymethyl)-5beta-hydroxy-1,4aalpha,5,6,7,7abeta-hexahydro-1beta-methoxy-4alpha-methylcyclopenta[c]pyran-3(4H)-one|(1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta(c)pyran-3-one|(1S,4R,4aS,5S,7S,7aS)-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-octahydrocyclopenta[c]pyran-3-one|(1S,4R,4aS,5S,7S,7aS)-Hexahydro-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methylcyclopenta[c]pyran-3(1H)-one|Cyclopenta[c]pyran-3(1H)-one, hexahydro-5-hydroxy-7-(hydroxymethyl)-1-methoxy-4-methyl-, (1S,4R,4aS,5S,7S,7aS)-

Molecular Formula	C11H18O5
Molecular Weight	230.11542 g/mol
LogP	-0.2427
Topological Polar Surface Area	75.99 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	230.11542
Monoisotopic Mass	230.11542
Heavy Atoms	16
Complexity	279.5485

Chemical Identifiers

CAS Number	652145-41-0
SMILES	C[C@@H]1[C@H]2[C@H](C[C@@H]([C@@H]2[C@H](OC1=O)OC)CO)O