Feruginidin

[(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate

Also Known As: Feruginidin|14-Hydroxyferutinin|KST-1A0838|(3r,3as)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate|Benzoic acid,4-hydroxy-,(3R,3aS,4S,8aR)-1,2,3,3a,4,5,8,8a-octahydro-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-(1-methylethyl)-4-azulenylester, rel-(+)-|[(3R,3aS)-3-hydroxy-6-(hydroxymethyl)-8a-methyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate|3-Hydroxy-6-(hydroxymethyl)-8a-methyl-3-(propan-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulen-4-yl 4-hydroxybenzoate

Molecular Formula	C22H30O5
Molecular Weight	374.20932 g/mol
LogP	3.2
Topological Polar Surface Area	87.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	5
Exact Mass	374.20932
Monoisotopic Mass	374.20932
Heavy Atoms	27
Complexity	577.0

Chemical Identifiers

CAS Number	1194-74-7
SMILES	CC(C)[C@@]1(CCC2([C@H]1C(CC(=CC2)CO)OC(=O)C3=CC=C(C=C3)O)C)O
InChIKey	FPUSCWGZFFIOSW-XZJNEJNUSA-N