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5β-pregnane-3α,20α,21-triol, triacetate

View entire compound with spectra: 1 FTIR

5β-pregnane-3α,20α,21-triol, triacetate
SpectraBase Compound ID AlZ2sSlCmPy
InChI InChI=1S/C27H42O6/c1-16(28)31-15-25(33-18(3)30)24-9-8-22-21-7-6-19-14-20(32-17(2)29)10-12-26(19,4)23(21)11-13-27(22,24)5/h19-25H,6-15H2,1-5H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+/m1/s1
InChIKey YMUBNMQWOJKNJR-PRQLEWBPSA-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 4r2rSmF0qVa
Name 5β-pregnane-3α,20α,21-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/c1-16(28)31-15-25(33-18(3)30)24-9-8-22-21-7-6-19-14-20(32-17(2)29)10-12-26(19,4)23(21)11-13-27(22,24)5/h19-25H,6-15H2,1-5H3/t19-,20-,21+,22+,23+,24-,25+,26+,27+/m1/s1
InChIKey YMUBNMQWOJKNJR-PRQLEWBPSA-N
Melting Point 105.5-107C
Molecular Weight 462.627014
Synonyms 5B-PREGNANE-3A,20A,21-TRIOL, TRI- ACETATE
Technique KBr WAFER