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5a-Cholestane-1a,3a-diol

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5a-Cholestane-1a,3a-diol
SpectraBase Compound ID 1KDtysGVKDP
InChI InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h17-25,28-29H,6-16H2,1-5H3
InChIKey QKKCBCJYKCUZIS-UHFFFAOYSA-N
Mol Weight 404.7 g/mol
Molecular Formula C27H48O2
Exact Mass 404.365431 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID x51lp6T9yV
Name 5a-Cholestane-1a,3b-diol
CAS Registry Number 571-00-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H48O2
InChI InChI=1S/C27H48O2/c1-17(2)7-6-8-18(3)22-11-12-23-21-10-9-19-15-20(28)16-25(29)27(19,5)24(21)13-14-26(22,23)4/h17-25,28-29H,6-16H2,1-5H3
InChIKey QKKCBCJYKCUZIS-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference C.L. Van Antwerp, H. Eggert, C. Djerassi, J. Org. Chem. 42, 789 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3