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20α,21-(isopropylidenedioxy)-5β-pregnan-3α-ol, acetate
SpectraBase Compound ID GuGiosO6ffm
InChI InChI=1S/C26H42O4/c1-16(27)29-18-10-12-25(4)17(14-18)6-7-19-20-8-9-22(23-15-28-24(2,3)30-23)26(20,5)13-11-21(19)25/h17-23H,6-15H2,1-5H3/t17-,18-,19+,20+,21+,22-,23+,25+,26+/m1/s1
InChIKey NYTKULSHUFODOY-JDTMGIRBSA-N
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8zXWaVlJFpE
Name 20α,21-(isopropylidenedioxy)-5β-pregnan-3α-ol, acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 21337-70-2
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42O4
InChI InChI=1S/C26H42O4/c1-16(27)29-18-10-12-25(4)17(14-18)6-7-19-20-8-9-22(23-15-28-24(2,3)30-23)26(20,5)13-11-21(19)25/h17-23H,6-15H2,1-5H3/t17-,18-,19+,20+,21+,22-,23+,25+,26+/m1/s1
InChIKey NYTKULSHUFODOY-JDTMGIRBSA-N
Literature Reference J. ORG. CHEM. 34, 3505(1969) Abstract-Chemical Abstracts= 72, 12958(1969)
Melting Point 112-114C
Molecular Weight 418.618011
Synonyms 5B-PREGNAN-3A-OL, 20A,21-/ISOPROPYL- IDENEDIOXY/-, ACETATE
Technique KBr WAFER