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5β-pregnane-3α,17,20α-triol, 3-acetate
SpectraBase Compound ID 9iH4cfSSDjK
InChI InChI=1S/C23H38O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h14,16-20,24,26H,5-13H2,1-4H3/t14-,16+,17+,18+,19-,20-,21-,22-,23-/m0/s1
InChIKey BODQHLHCRGRRSI-REOMQMHBSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O4
Exact Mass 378.27701 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F2EIz0ZmiMA
Name 5β-pregnane-3α,17,20α-triol, 3-acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16062-27-4
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O4
InChI InChI=1S/C23H38O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h14,16-20,24,26H,5-13H2,1-4H3/t14-,16+,17+,18+,19-,20-,21-,22-,23-/m0/s1
InChIKey BODQHLHCRGRRSI-REOMQMHBSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 139.5C
Molecular Weight 378.553009
Synonyms 5B-PREGNANE-3A,17,20A-TRIOL, 3-ACETATE
Technique KBr WAFER