John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=57zCB9qBNRK SpectraBase Spectrum ID=2Wd8fqDjYpE

(accessed ).
17,20,20-TRIHYDROXYPREGN-5-EN-3-ONE, CYCLIC ETHYLENE ACETAL, 20beta-ACETATE, CYCLIC 17,20-CARBONATE
SpectraBase Compound ID 57zCB9qBNRK
InChI InChI=1S/C26H36O7/c1-16(27)31-24(4)26(33-21(28)32-24)10-8-20-18-6-5-17-15-25(29-13-14-30-25)12-11-22(17,2)19(18)7-9-23(20,26)3/h5,18-20H,6-15H2,1-4H3/t18-,19+,20+,22+,23+,24+,26-/m1/s1
InChIKey WDSZBXIMUYUBPY-RRPCPHQQSA-N
Mol Weight 460.6 g/mol
Molecular Formula C26H36O7
Exact Mass 460.246104 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 2Wd8fqDjYpE
Name 17,20,20-TRIHYDROXYPREGN-5-EN-3-ONE, CYCLIC ETHYLENE ACETAL, 20beta-ACETATE, CYCLIC 17,20-CARBONATE
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 57031-28-4
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O7
InChI InChI=1S/C26H36O7/c1-16(27)31-24(4)26(33-21(28)32-24)10-8-20-18-6-5-17-15-25(29-13-14-30-25)12-11-22(17,2)19(18)7-9-23(20,26)3/h5,18-20H,6-15H2,1-4H3/t18-,19+,20+,22+,23+,24+,26-/m1/s1
InChIKey WDSZBXIMUYUBPY-RRPCPHQQSA-N
Literature Reference J. ORG. CHEM. 41, 78(1976) Abstract-Chemical Abstracts= 84, 44522(1976)
Melting Point 165-168C
Molecular Weight 460.566986
SpectraBase Batch ID JlbEIcspTy6
Synonyms PREGN-5-EN-3-ONE, 17,20,20-TRI- HYDROXY-, CYCLIC ETHYLENE ACETAL, 20B-ACETATE, CYCLIC 17,20-CARBONATE
Technique KBr WAFER