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

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5β-pregnane-3α,17,20α,21-tetrol, 3,21-diacetate
SpectraBase Compound ID HEOExWRU8sP
InChI InChI=1S/C25H40O6/c1-15(26)30-14-22(28)25(29)12-9-21-19-6-5-17-13-18(31-16(2)27)7-10-23(17,3)20(19)8-11-24(21,25)4/h17-22,28-29H,5-14H2,1-4H3/t17-,18-,19-,20+,21+,22+,23+,24+,25+/m1/s1
InChIKey FYYNAGPWSAPXJV-ZRNXLIBUSA-N
Mol Weight 436.6 g/mol
Molecular Formula C25H40O6
Exact Mass 436.282489 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID GqLszx5rnDy
Name 5β-pregnane-3α,17,20α,21-tetrol, 3,21-diacetate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 16109-51-6
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O6
InChI InChI=1S/C25H40O6/c1-15(26)30-14-22(28)25(29)12-9-21-19-6-5-17-13-18(31-16(2)27)7-10-23(17,3)20(19)8-11-24(21,25)4/h17-22,28-29H,5-14H2,1-4H3/t17-,18-,19-,20+,21+,22+,23+,24+,25+/m1/s1
InChIKey FYYNAGPWSAPXJV-ZRNXLIBUSA-N
Literature Reference J. ORG. CHEM. 33, 1695(1968) Abstract-Chemical Abstracts= 68, 114816(1968)
Melting Point 190.5-191.5C
Molecular Weight 436.588989
Synonyms 5B-PREGNANE-3A,17,20A,21-TETROL, 3,21-DIACETATE
Technique KBr WAFER