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5β-pregnane-3α,17,20α,21-tetrol, 21-acetate

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5β-pregnane-3α,17,20α,21-tetrol, 21-acetate
SpectraBase Compound ID 4x75brbuXwQ
InChI InChI=1S/C23H38O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15-20,25-27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,20+,21+,22+,23+/m1/s1
InChIKey BOHOBIJWBNSASS-ISACZUHTSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O5
Exact Mass 394.271924 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5R0D9k3Jiro
Name 5β-pregnane-3α,17,20α,21-tetrol, 21-acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O5
InChI InChI=1S/C23H38O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h15-20,25-27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,20+,21+,22+,23+/m1/s1
InChIKey BOHOBIJWBNSASS-ISACZUHTSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 222-223C
Molecular Weight 394.552002
Synonyms 5B-PREGNANE-3A,17,20A,21-TETROL, 21-ACETATE
Technique FILM (CAST FROM CHCl3)