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20β,21-epoxy-5β-pregnane-3α,17-diol, 3-acetate

View entire compound with spectra: 1 FTIR

20β,21-epoxy-5β-pregnane-3α,17-diol, 3-acetate
SpectraBase Compound ID 2E2VohUepOk
InChI InChI=1S/C23H36O4/c1-14(24)27-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22,25)20-13-26-20/h15-20,25H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,20-,21+,22+,23+/m1/s1
InChIKey JDSCYAUVVZAFGZ-YOZVSQQVSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 4bXQ0AJk2pu
Name 20β,21-epoxy-5β-pregnane-3α,17-diol, 3-acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16064-98-5
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-14(24)27-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22,25)20-13-26-20/h15-20,25H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,20-,21+,22+,23+/m1/s1
InChIKey JDSCYAUVVZAFGZ-YOZVSQQVSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 109-110C
Molecular Weight 376.536987
Synonyms 5B-PREGNANE-3A,17-DIOL, 20B,21-EPOXY-, 3-ACETATE
Technique KBr WAFER