AC1L45NN

(1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione;(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene

Also Known As: Limonoic acid, di-delta-lactone, mixture with (R)-1-methyl-4-(1-methylethenyl)cyclohexene|(1R,2R,7S,10R,13R,14R,16S,19S,20S)-19-(furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione;(4R)-1-methyl-4-prop-1-en-2-ylcyclohexene|(4aS,6aR,8aR,8bR,9aS,12S,12aS,14aR,14bR)-12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,8,10(6H,9aH)-trione--(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene (1/1)|12-(Furan-3-yl)-6,6,8a,12a-tetramethyldecahydro-1H,3H-oxireno[c]pyrano[4'',3'':2',3']furo[3',4':5,6]naphtho[1,2-d]pyran-3,8,10(6H,9aH)-trione--1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene (1/1)

Molecular Formula	C36H46O8
Molecular Weight	606.3193 g/mol
LogP	6.4463
Topological Polar Surface Area	105.0 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	2
Exact Mass	606.3193
Monoisotopic Mass	606.3193
Heavy Atoms	44
Complexity	1170.0

Chemical Identifiers

CAS Number	54577-49-0
SMILES	CC1=CC[C@@H](CC1)C(=C)C.C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@H]2C5=COC=C5)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C
InChIKey	ILUOHTJLIWBLSU-GRPDPYMXSA-N