Nigakilactone A

15,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione

Also Known As: NIGAKILACTONE A|Urfadin|11,12-Dihydroxy-2-methoxypicras-2-ene-1,16-dione|11,12-Dihydroxy-2-methoxypicras-2-ene-1,16-dione #|Picras-2-ene-1,16-dione, 11,12-dihydroxy-2-methoxy-, (11.alpha.,12.beta.)-|Phenanthro[10,1-bc]pyran-5,11(1H,4H)-dione, 2,3,3a.beta.,6a.beta.,7,7a.alpha.,8,11a,11b.alpha.,11c-decahydro-1.alpha.,2.beta.-dihydroxy-10-methoxy-3.alpha.,8.alpha.,11a.beta.,11c.beta.-tetramethyl-|Picras-2-ene-1,16-dione, 11,12-dihydroxy-2-methoxy-, (11alpha,12beta)-|Phenanthro(10,1-bc)pyran-5,11(1H,4H)-dione, 2,3,3a.beta.,6a.beta.,7,7a.alpha.,8,11a,11b.alpha.,11c-decahydro-1.alpha.,2.beta.-dihydroxy-10-methoxy-3.alpha.,8.alpha.,11a.beta.,11c.beta.-tetramethyl-|Picras-2-ene-1, 11,12-dihydroxy-2-methoxy-, (11.alpha.,12.beta.)-|(1S,2S,6S,7S,9R,13S,14R,15S,16S,17S)-15,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo(7.7.1.02,7.013,17)heptadec-4-ene-3,11-dione|(1S,2S,6S,7S,9R,13S,14R,15S,16S,17S)-15,16-dihydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione|Phenanthro(10,1-bc)pyran-5,11(1H,4H)-dione, 2,3,3abeta,6abeta,7,7aalpha,8,11a,11balpha,11c-decahydro-1alpha,2beta-dihydroxy-10-methoxy-3alpha,8alpha,11abeta,11cbeta-tetramethyl-|Phenanthro[10,11(1H,4H)-dione, 2,3,3a.beta.,6a.beta.,7,7a.alpha.,8,11a,11b.alpha.,11c-decahydro-1.alpha.,2.beta.-dihydroxy-10-methoxy-3.alpha.,8.alpha.,11a.beta.,11c.beta.-tetramethyl-

Molecular Formula	C21H30O6
Molecular Weight	378.20422 g/mol
LogP	2.0
Topological Polar Surface Area	93.1 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	378.20422
Monoisotopic Mass	378.20422
Heavy Atoms	27
Complexity	715.0

Chemical Identifiers

CAS Number	24148-76-3
SMILES	CC1C=C(C(=O)C2(C1CC3C4(C2C(C(C(C4CC(=O)O3)C)O)O)C)C)OC
InChIKey	ZIVURVYGGHVTQO-UHFFFAOYSA-N