1H-Benz[b]indeno[5,4-d]oxepin, B-homo-6-oxacholestan-7-one deriv.

SpectraBase Compound ID	5edkwQYjtQm
InChI	InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)33-26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26+,28-,29-/m1/s1
InChIKey	PMOBKBMULNPRQB-RFCYWISBSA-N Google Search
Mol Weight	460.7 g/mol
Molecular Formula	C29H48O4
Exact Mass	460.35526 g/mol

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SpectraBase Spectrum ID	8MvwZrkooJy
Name	1H-Benz[b]indeno[5,4-d]oxepin, B-homo-6-oxacholestan-7-one deriv.
CAS Registry Number	20496-80-4
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C29H48O4
InChI	InChI=1S/C29H48O4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(31)33-26-16-21(32-20(4)30)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-26H,7-17H2,1-6H3/t19-,21+,22+,23-,24+,25+,26+,28-,29-/m1/s1
InChIKey	PMOBKBMULNPRQB-RFCYWISBSA-N
Molecular Weight	460.699 g/mol
SMILES	[C@@]12([C@]([C@@]3(CC(O[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])=O)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH	splash10-014i-0009000000-a31846cfdf57763a1f24
Source of Spectrum	I-66-223-9
Synonyms	4-Indanacetic acid, 5-(2,4-dihydroxy-1-methylcyclohexyl)-1-(1,5-dimethylhexyl)hexahydro-7a-methyl-, .epsilon.-lactone, acetate 5,6-Seco-5.beta.-cholestan-6-oic acid, 3.beta.,5-dihydroxy-, .epsilon.-lactone, acetate B-Homo-6-oxacholestan-7-one, 3-(acetyloxy)-, (3.beta.,5.beta.)- (1R,3aS,3bS,6aS,8S,10aR,10bS,12aR)-1-[(1R)-1,5-dimethylhexyl]-10a,12a-dimethyl-5-oxohexadecahydro-1H-indeno[4,5-d][1]benzoxepin-8-yl acetate 3.beta.-acetoxy-6-oxa-b-homo-5.beta.-cholestan-7-one
Wiley ID	1390627