1-Benzofuro[2',3':2,3]-5.alpha.-cholest-2-ene

SpectraBase Compound ID	FmqPB4hIXcW
InChI	InChI=1S/C33H48O/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-26-24-11-6-7-12-30(24)34-31(26)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25,27-29H,8-10,13-20H2,1-5H3/t22-,23+,25+,27-,28+,29+,32-,33+/m1/s1
InChIKey	VEJMOZWBWITMDD-YHPMGPRQSA-N Google Search
Mol Weight	460.7 g/mol
Molecular Formula	C33H48O
Exact Mass	460.370516 g/mol

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SpectraBase Spectrum ID	5X5FMxPbZZn
Name	1-Benzofuro[2',3':2,3]-5.alpha.-cholest-2-ene
Alternate Name(s)	(1R,3aS,3bR,5aS,12aS,12bS,14aR)-1-[(1R)-1,5-dimethylhexyl]-12a,14a-dimethyl-2,3,3a,3b,4,5,5a,6,12,12a,12b,13,14,14a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[3,2-b][1]benzofuran
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C33H48O
InChI	InChI=1S/C33H48O/c1-21(2)9-8-10-22(3)27-15-16-28-25-14-13-23-19-26-24-11-6-7-12-30(24)34-31(26)20-33(23,5)29(25)17-18-32(27,28)4/h6-7,11-12,21-23,25,27-29H,8-10,13-20H2,1-5H3/t22-,23+,25+,27-,28+,29+,32-,33+/m1/s1
InChIKey	VEJMOZWBWITMDD-YHPMGPRQSA-N
Molecular Weight	460.746 g/mol
SMILES	c12c(c3ccccc3o2)C[C@]2([C@](C1)([C@@]1([C@@]([C@@]3(CC[C@@]([C@]3(CC1)C)([C@@](CCCC(C)C)(C)[H])[H])[H])([H])CC2)[H])C)[H]
SPLASH	splash10-01ox-0800900000-e82a725472d9b0b6c34d
Source of Spectrum	KC-0-460-16
Wiley ID	830044