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3α,6α,21-trihydroxy-5β-pregnan-20-one, triacetate
SpectraBase Compound ID 6jPp9uza4oN
InChI InChI=1S/C27H40O7/c1-15(28)32-14-24(31)22-7-6-20-19-13-25(34-17(3)30)23-12-18(33-16(2)29)8-10-27(23,5)21(19)9-11-26(20,22)4/h18-23,25H,6-14H2,1-5H3/t18-,19+,20+,21+,22-,23+,25+,26+,27-/m1/s1
InChIKey ORYQTNNRIXHHPM-ZYOHVDMJSA-N
Mol Weight 476.6 g/mol
Molecular Formula C27H40O7
Exact Mass 476.277404 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID D59HuTNrb9o
Name 3α,6α,21-trihydroxy-5β-pregnan-20-one, triacetate
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 C27H40O7
InChI InChI=1S/C27H40O7/c1-15(28)32-14-24(31)22-7-6-20-19-13-25(34-17(3)30)23-12-18(33-16(2)29)8-10-27(23,5)21(19)9-11-26(20,22)4/h18-23,25H,6-14H2,1-5H3/t18-,19+,20+,21+,22-,23+,25+,26+,27-/m1/s1
InChIKey ORYQTNNRIXHHPM-ZYOHVDMJSA-N
Literature Reference J. BIOL. CHEM. 241, 5325(1966) Abstract-Chemical Abstracts= 65, 18939D(1966)
Melting Point 180-183C
Molecular Weight 476.609985
Synonyms 5B-PREGNAN-20-ONE, 3A,6A,21-TRI- HYDROXY-, TRIACETATE
Technique KBr WAFER