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

View entire compound with spectra: 2 FTIR

5β-pregnane-3α,20α,21-triol, 3-acetate
SpectraBase Compound ID AmSQhRculaJ
InChI InChI=1S/C23H38O4/c1-14(25)27-16-8-10-22(2)15(12-16)4-5-17-18-6-7-20(21(26)13-24)23(18,3)11-9-19(17)22/h15-21,24,26H,4-13H2,1-3H3/t15-,16-,17+,18+,19+,20-,21+,22+,23+/m1/s1
InChIKey QRKKGTCBTCPTET-NXCIEIQJSA-N
Mol Weight 378.6 g/mol
Molecular Formula C23H38O4
Exact Mass 378.27701 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HACUS9eYS9V
Name 5β-pregnane-3α,20α,21-triol, 3-acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 21338-06-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O4
InChI InChI=1S/C23H38O4/c1-14(25)27-16-8-10-22(2)15(12-16)4-5-17-18-6-7-20(21(26)13-24)23(18,3)11-9-19(17)22/h15-21,24,26H,4-13H2,1-3H3/t15-,16-,17+,18+,19+,20-,21+,22+,23+/m1/s1
InChIKey QRKKGTCBTCPTET-NXCIEIQJSA-N
Literature Reference J. ORG. CHEM. 34, 3505(1969) Abstract-Chemical Abstracts= 72, 12958(1969)
Melting Point 166.5-167.5C
Molecular Weight 378.553009
Synonyms 5B-PREGNANE-3A,20A,21-TRIOL, 3-ACETATE
Technique KBr WAFER