Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-

[(1R,2S,4aR,5S,6R,8S,8aR)-5-[(3aR,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate

Also Known As: Ivain Ii|Caryoptinol, 14,15-dihydro-, 2-methylpropanoate, (3beta)-|(1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-[(acetyloxy)methyl]-5-[(3aR,6aS)-hexahydrofuro[2,3-b]furan-2-yl]-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate|[(1R,2S,4aR,5S,6R,8S,8aR)-5-[(3aR,6aS)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-5,6-dimethylspiro[3,4,4a,6,7,8-hexahydro-2H-naphthalene-1,2'-oxirane]-2-yl] 2-methylpropanoate|8-(Acetyloxy)-8a-[(acetyloxy)methyl]-5-(hexahydrofuro[2,3-b]furan-2-yl)-5,6-dimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-2-yl 2-methylpropanoate|Propanoic acid, 2-methyl-, (1R,2S,4aR,5S,6R,8S,8aR)-8-(acetyloxy)-8a-((acetyloxy)methyl)-5-((2S,3aR,6aS)-hexahydrofuro(2,3-b)furan-2-yl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-2-yl ester|Propanoic acid, 2-methyl-, 8-(acetyloxy)-8a-((acetyloxy)methyl)-5-(hexahydrofuro(2,3-b)furan-2-yl)octahydro-5,6-dimethylspiro(naphthalene-1(2H),2'-oxiran)-2-yl ester, (1R-(1alpha,2beta,4abeta,5beta(2S*,3aR*,6aS*),6alpha,8alpha,8aalpha))-

Molecular Formula	C28H42O9
Molecular Weight	522.2829 g/mol
LogP	3.5
Topological Polar Surface Area	110.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	9
Exact Mass	522.2829
Monoisotopic Mass	522.2829
Heavy Atoms	37
Complexity	935.0

Chemical Identifiers

CAS Number	79495-90-2
SMILES	C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)C3C[C@H]4CCO[C@H]4O3)CC[C@@H]([C@]25CO5)OC(=O)C(C)C)COC(=O)C)OC(=O)C
InChIKey	PWKXWHAZACEABO-JTWZBBRBSA-N