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3α,17,21-trihydroxy-5β-pregnan-20-one, 3-acetate
SpectraBase Compound ID FItnxMt9MFK
InChI InChI=1S/C23H36O5/c1-14(25)28-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22,27)20(26)13-24/h15-19,24,27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,21+,22+,23+/m1/s1
InChIKey AMWUVEPYCFALOA-NAWQHOSSSA-N
Mol Weight 392.5 g/mol
Molecular Formula C23H36O5
Exact Mass 392.256274 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID DherOm8KGdy
Name 3α,17,21-trihydroxy-5β-pregnan-20-one, 3-acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16109-53-8
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O5
InChI InChI=1S/C23H36O5/c1-14(25)28-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22,27)20(26)13-24/h15-19,24,27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,21+,22+,23+/m1/s1
InChIKey AMWUVEPYCFALOA-NAWQHOSSSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 194-195.5C
Molecular Weight 392.536011
Synonyms 5B-PREGNAN-20-ONE, 3A,17,21-TRI- HYDROXY-, 3-ACETATE
Technique KBr WAFER