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4 .alpha.-D1-cholesterylaceta
SpectraBase Compound ID ANEN6sthk4D
InChI InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i18D/t18-,20+,23-,24-,25+,26-,27-,28-,29+/m0
InChIKey XUGISPSHIFXEHZ-LSGOSIRQSA-N
Mol Weight 429.7 g/mol
Molecular Formula C29H472DO2
Exact Mass 429.371708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AtBf922JI1y
Name 4 .alpha.-D1-cholesterylaceta
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47DO2
InChI InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3/t20-,23+,24+,25-,26+,27+,28+,29-/m1/s1/i18D/t18-,20+,23-,24-,25+,26-,27-,28-,29+/m0
InChIKey XUGISPSHIFXEHZ-LSGOSIRQSA-N
Molecular Weight 429.707 g/mol
SMILES [C@@]12([C@]([C@@]3(CC=C4[C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)([C@]4([2D])[H])[H])C)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C
SPLASH splash10-014i-7928000000-4c071c90af8966554f16
Source of Spectrum SD-1992-0-0
Wiley ID 1380976