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5Beta-pregnane-3alpha,17-diol, 3-acetate

View entire compound with spectra: 1 NMR, and 2 FTIR

5Beta-pregnane-3alpha,17-diol, 3-acetate
SpectraBase Compound ID 5ygGXu0u9sa
InChI InChI=1S/C23H38O3/c1-5-23(25)13-10-20-18-7-6-16-14-17(26-15(2)24)8-11-21(16,3)19(18)9-12-22(20,23)4/h16-20,25H,5-14H2,1-4H3/t16-,17-,18-,19+,20+,21+,22+,23-/m1/s1
InChIKey XFQZMLHHLMNCGB-HMBYOLGQSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38O3
Exact Mass 362.282095 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 86IaFpgLXdH
Name 5β-pregnane-3α,17-diol, 3-acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16109-77-6
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O3
InChI InChI=1S/C23H38O3/c1-5-23(25)13-10-20-18-7-6-16-14-17(26-15(2)24)8-11-21(16,3)19(18)9-12-22(20,23)4/h16-20,25H,5-14H2,1-4H3/t16-,17-,18-,19+,20+,21+,22+,23-/m1/s1
InChIKey XFQZMLHHLMNCGB-HMBYOLGQSA-N
Literature Reference J. ORG. CHEM. 33, 1707(1968) Abstract-Chemical Abstracts= 68, 114818(1968)
Melting Point ~50C
Molecular Weight 362.553986
Synonyms 5B-PREGNANE-3A,17-DIOL, 3-ACETATE
Technique KBr WAFER