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3α,6α-dihydroxy-5β-pregnan-20-one, diacetate
SpectraBase Compound ID 2W86oONODDj
InChI InChI=1S/C25H38O5/c1-14(26)19-6-7-20-18-13-23(30-16(3)28)22-12-17(29-15(2)27)8-10-25(22,5)21(18)9-11-24(19,20)4/h17-23H,6-13H2,1-5H3/t17-,18+,19-,20+,21+,22+,23+,24-,25-/m1/s1
InChIKey AGNUMQPIOAPNHN-SFGJDPFUSA-N
Mol Weight 418.6 g/mol
Molecular Formula C25H38O5
Exact Mass 418.271924 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID ChiXTSvmbnw
Name 3α,6α-dihydroxy-5β-pregnan-20-one, diacetate
Source of Sample J. J. Schneider, Jefferson Medical Center, Philadelphia, Pennsylvania
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38O5
InChI InChI=1S/C25H38O5/c1-14(26)19-6-7-20-18-13-23(30-16(3)28)22-12-17(29-15(2)27)8-10-25(22,5)21(18)9-11-24(19,20)4/h17-23H,6-13H2,1-5H3/t17-,18+,19-,20+,21+,22+,23+,24-,25-/m1/s1
InChIKey AGNUMQPIOAPNHN-SFGJDPFUSA-N
Literature Reference J. BIOL. CHEM. 241, 5325(1966) Abstract-Chemical Abstracts= 65, 18939D(1966)
Melting Point 135-135.5C
Molecular Weight 418.574005
Synonyms 5B-PREGNAN-20-ONE, 3A,6A-DIHYDROXY-, DIACETATE
Technique KBr WAFER