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5β-pregnane-3α,17,20α,21-tetrol, 3-acetate

View entire compound with spectra: 2 FTIR

5β-pregnane-3α,17,20α,21-tetrol, 3-acetate
SpectraBase Compound ID 8ql0LOyDyb2
InChI InChI=1S/C23H38O5/c1-14(25)28-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22,27)20(26)13-24/h15-20,24,26-27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,20+,21+,22+,23+/m1/s1
InChIKey SROGPTDRJWFUKP-ISACZUHTSA-N
Mol Weight 394.6 g/mol
Molecular Formula C23H38O5
Exact Mass 394.271924 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID I5TPY7Ul73n
Name 5β-pregnane-3α,17,20α,21-tetrol, 3-acetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 21338-08-9
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H38O5
InChI InChI=1S/C23H38O5/c1-14(25)28-16-6-9-21(2)15(12-16)4-5-17-18(21)7-10-22(3)19(17)8-11-23(22,27)20(26)13-24/h15-20,24,26-27H,4-13H2,1-3H3/t15-,16-,17-,18+,19+,20+,21+,22+,23+/m1/s1
InChIKey SROGPTDRJWFUKP-ISACZUHTSA-N
Literature Reference J. ORG. CHEM. 34, 3505(1969) Abstract-Chemical Abstracts= 72, 12958(1969)
Melting Point 169.5-170.5C
Molecular Weight 394.552002
Synonyms 5B-PREGNANE-3A,17,20A,21-TETROL, 3-ACETATE
Technique KBr WAFER