5H-Benz[b]indeno[5,4-d]oxepin, B-homo-6-oxacholest-4-en-7-one deriv.

SpectraBase Compound ID	GJFkjgyVGzr
InChI	InChI=1S/C27H44O2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)29-24-11-6-7-15-27(24,5)23(20)14-16-26(21,22)4/h11,18-23H,6-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey	GKGBDGMRWSWADG-VHHOZFFRSA-N Google Search
Mol Weight	400.6 g/mol
Molecular Formula	C27H44O2
Exact Mass	400.334131 g/mol

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SpectraBase Spectrum ID	2mgetKjF2LQ
Name	5H-Benz[b]indeno[5,4-d]oxepin, B-homo-6-oxacholest-4-en-7-one deriv.
CAS Registry Number	54200-15-6
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H44O2
InChI	InChI=1S/C27H44O2/c1-18(2)9-8-10-19(3)21-12-13-22-20-17-25(28)29-24-11-6-7-15-27(24,5)23(20)14-16-26(21,22)4/h11,18-23H,6-10,12-17H2,1-5H3/t19-,20+,21-,22+,23+,26-,27-/m1/s1
InChIKey	GKGBDGMRWSWADG-VHHOZFFRSA-N
Molecular Weight	400.647 g/mol
SMILES	[C@@]12([C@]([C@@]3(CC(OC=4[C@]([C@]3(CC2)[H])(C)CCCC4)=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH	splash10-00di-0009100000-202b295c21c004f32c8b
Source of Spectrum	KC-1989-1555-11
Synonyms	B-Homo-6-oxacholest-4-en-7-one (1R,3aS,3bS,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-1,2,3,3a,3b,4,8,9,10,10a,10b,11,12,12a-tetradecahydro-5H-indeno[4,5-d][1]benzoxepin-5-one 6-oxa-b-homocholest-4-en-7-one Enolic .epsilon.-Enol-lactone
Wiley ID	1369736