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5β-pregn-16-ene-3α,21-diol
SpectraBase Compound ID 6Pd707R69ok
InChI InChI=1S/C21H34O2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22)5-3-15-13-16(23)7-10-21(15,19)2/h4,15-19,22-23H,3,5-13H2,1-2H3/t15-,16-,17+,18+,19+,20-,21+/m1/s1
InChIKey MRLLWMSVBAPVNT-YJUFFEMBSA-N
Mol Weight 318.5 g/mol
Molecular Formula C21H34O2
Exact Mass 318.25588 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LeFnkDVSIra
Name 5β-pregn-16-ene-3α,21-diol
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16054-70-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O2
InChI InChI=1S/C21H34O2/c1-20-11-8-19-17(18(20)6-4-14(20)9-12-22)5-3-15-13-16(23)7-10-21(15,19)2/h4,15-19,22-23H,3,5-13H2,1-2H3/t15-,16-,17+,18+,19+,20-,21+/m1/s1
InChIKey MRLLWMSVBAPVNT-YJUFFEMBSA-N
Literature Reference J. ORG. CHEM. 33, 1707(1968) Abstract-Chemical Abstracts= 68, 114818(1968)
Melting Point 166-166.5C
Molecular Weight 318.501007
Synonyms 5B-PREGN-16-ENE-3A,21-DIOL
Technique KBr WAFER