Repin

[(3aR,4S,6aR,8R,9S,9aR,9bR)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2S)-2-methyloxirane-2-carboxylate

Also Known As: Repin|KST-1A0557|[(3aR,4S,6aR,8R,9S,9aR,9bR)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl] (2S)-2-methyloxirane-2-carboxylate|(3ar,4s,6ar,8r,9s,9ar,9br)-8-hydroxy-3,6-dimethylidene-2-oxodecahydro-2h-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl(2s)-2-methyloxirane-2-carboxylate|Oxiranecarboxylic acid, 2-methyl-, decahydro-8-hydroxy-3,6-bis(methylene)-2-oxospiro(azuleno(4,5-b)furan-9(2H),2'-oxiran)-4-yl ester, (3aR-(3aalpha,4alpha(S*),6aalpha,8beta,9alpha,9aalpha,9bbeta))-|((3aR,4S,6aR,8R,9S,9aR,9bR)-8-hydroxy-3,6-dimethylidene-2-oxospiro(3a,4,5,6a,7,8,9a,9b-octahydroazuleno(4,5-b)furan-9,2'-oxirane)-4-yl) (2S)-2-methyloxirane-2-carboxylate|(2'S,3aR,4S,6aR,8R,9aR,9bR)-8-Hydroxy-3,6-dimethylidene-2-oxodecahydro-2H-spiro[azuleno[4,5-b]furan-9,2'-oxiran]-4-yl (2S)-2-methyloxirane-2-carboxylate|[(3Ar,4s,6ar,8r,9s,9ar,9br)-8-hydroxy-3,6-dimethylidene-2-oxospiro[3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-9,2'-oxirane]-4-yl](2S)-2-methyloxirane-2-carboxylate

Molecular Formula	C19H22O7
Molecular Weight	362.13657 g/mol
LogP	0.51
Topological Polar Surface Area	97.89 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	362.13657
Heavy Atoms	26
Complexity	732.2

Chemical Identifiers

CAS Number	11024-67-2
SMILES	C[C@]1(CO1)C(=O)O[C@H]2CC(=C)[C@@H]3C[C@H]([C@]4([C@H]3[C@H]5[C@@H]2C(=C)C(=O)O5)CO4)O