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5β-pregnane-3α,6α,20β-triol, triacetate
SpectraBase Compound ID 1j4fsrXPaBV
InChI InChI=1S/C27H42O6/c1-15(31-16(2)28)21-7-8-22-20-14-25(33-18(4)30)24-13-19(32-17(3)29)9-11-27(24,6)23(20)10-12-26(21,22)5/h15,19-25H,7-14H2,1-6H3/t15-,19-,20+,21-,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey OGLFDLAECJGPLE-ZUHDBFNNSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F9e8zhv8Z6x
Name 5β-pregnane-3α,6α,20β-triol, 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 C27H42O6
InChI InChI=1S/C27H42O6/c1-15(31-16(2)28)21-7-8-22-20-14-25(33-18(4)30)24-13-19(32-17(3)29)9-11-27(24,6)23(20)10-12-26(21,22)5/h15,19-25H,7-14H2,1-6H3/t15-,19-,20+,21-,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey OGLFDLAECJGPLE-ZUHDBFNNSA-N
Literature Reference J. BIOL. CHEM. 241, 5325(1966) Abstract-Chemical Abstracts= 65, 18939D(1966)
Melting Point 192-193.5C
Molecular Weight 462.627014
Synonyms 5B-PREGNANE-3A,6A,20B-TRIOL, TRI- ACETATE
Technique KBr WAFER