(2S,4aR,6S,11S,13aR)-6,11-Diisobutyl-2-(4-methoxy-benzyloxy)-3-methyl-1,2,4a,6,11,13a-hexahydro-5,12-dioxa-dibenzo[a,e]cyclononen-13-one

SpectraBase Compound ID	6c0vuMkmsIT
InChI	InChI=1S/C32H42O5/c1-20(2)15-29-25-9-7-8-10-26(25)30(16-21(3)4)37-32(33)27-18-28(22(5)17-31(27)36-29)35-19-23-11-13-24(34-6)14-12-23/h7-14,17,20-21,27-31H,15-16,18-19H2,1-6H3/t27-,28+,29+,30+,31-/m1/s1
InChIKey	LOOHWXSMWYVNEC-MOUVJORGSA-N Google Search
Mol Weight	506.7 g/mol
Molecular Formula	C32H42O5
Exact Mass	506.303224 g/mol

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SpectraBase Spectrum ID	B1anOr3cfR1
Name	(2S,4aR,6S,11S,13aR)-6,11-Diisobutyl-2-(4-methoxy-benzyloxy)-3-methyl-1,2,4a,6,11,13a-hexahydro-5,12-dioxa-dibenzo[a,e]cyclononen-13-one
Alternate Name(s)	2-(p-Methoxybenzyloxy)-6,11-diisobutyl-3-methyl-1,2,4a,13a-tetrahydro-5,12-dioxadibenzo[a,e]cyclononan-13-one (2S,4aR,6S,11S,13aR)-6,11-diisobutyl-2-((4-methoxybenzyl)oxy)-3-methyl-4a,6,11,13a-tetrahydro-1H-dibenzo[b,g][1,5]dioxonin-13(2H)-one (2S,4aR,6S,11S,13aR)-6,11-diisobutyl-2-[(4-methoxyphenyl)methoxy]-3-methyl-1,2,4a,6,11,13a-hexahydrobenzo[c][2,6]benzodioxonin-13-one (2S,4aR,6S,11S,13aR)-2-[(4-methoxyphenyl)methoxy]-3-methyl-6,11-bis(2-methylpropyl)-1,2,4a,6,11,13a-hexahydrobenzo[c][2,6]benzodioxonin-13-one
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Formula	C32H42O5
InChI	InChI=1S/C32H42O5/c1-20(2)15-29-25-9-7-8-10-26(25)30(16-21(3)4)37-32(33)27-18-28(22(5)17-31(27)36-29)35-19-23-11-13-24(34-6)14-12-23/h7-14,17,20-21,27-31H,15-16,18-19H2,1-6H3/t27-,28+,29+,30+,31-/m1/s1
InChIKey	LOOHWXSMWYVNEC-MOUVJORGSA-N
Molecular Weight	506.683 g/mol
SMILES	[C@]12(C(O[C@](c3ccccc3[C@@](O[C@@]2(C=C(C)[C@](C1)(OCc1ccc(cc1)OC)[H])[H])(CC(C)C)[H])(CC(C)C)[H])=O)[H]
SPLASH	splash10-00di-0910000000-b9067f9f8824e502af97
Source of Spectrum	F5-3-1315-7k
Wiley ID	1732237