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(7Z,24S)-24-Ethyl-5,6-seco-cholest-7,24(28)-diene-3.beta.,5.beta.,6-triol
SpectraBase Compound ID 24uolL1JQLr
InChI InChI=1S/C29H52O3/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23(14-17-30)26(13-16-28(24,25)5)29(6)15-12-22(31)18-27(29)32/h14,19-22,24-27,30-32H,7-13,15-18H2,1-6H3/b23-14-/t20?,21-,22-,24+,25?,26?,27-,28+,29+/m0/s1
InChIKey UFWGPJSBLCVHCP-VXANBPETSA-N
Mol Weight 448.7 g/mol
Molecular Formula C29H52O3
Exact Mass 448.391646 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUackyfavCH
Name (7Z,24S)-24-Ethyl-5,6-seco-cholest-7,24(28)-diene-3.beta.,5.beta.,6-triol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H52O3
InChI InChI=1S/C29H52O3/c1-7-21(19(2)3)9-8-20(4)24-10-11-25-23(14-17-30)26(13-16-28(24,25)5)29(6)15-12-22(31)18-27(29)32/h14,19-22,24-27,30-32H,7-13,15-18H2,1-6H3/b23-14-/t20?,21-,22-,24+,25?,26?,27-,28+,29+/m0/s1
InChIKey UFWGPJSBLCVHCP-VXANBPETSA-N
Molecular Weight 448.732 g/mol
SMILES OC\C=C/1C2[C@](CCC1[C@@]1([C@](C[C@](CC1)(O)[H])(O)[H])C)([C@](CC2)(C(CC[C@@](C(C)C)(CC)[H])C)[H])C
SPLASH splash10-004i-0920600000-29112f944a519f5d9554
Source of Spectrum X2-53-571-8
Wiley ID 1603536