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21-Hydroxypregn-5-ene-3,11,20-trione, cyclic 3,20-bis(ethylene acetal), methyl carbonate
SpectraBase Compound ID 7NsxKSECWQQ
InChI InChI=1S/C27H38O8/c1-24-8-9-26(32-10-11-33-26)14-17(24)4-5-18-19-6-7-21(25(19,2)15-20(28)22(18)24)27(34-12-13-35-27)16-31-23(29)30-3/h4,18-19,21-22H,5-16H2,1-3H3/t18-,19-,21-,22+,24-,25-/m0/s1
InChIKey DFEFTBYIMAZXEC-OFPZDURHSA-N
Mol Weight 490.6 g/mol
Molecular Formula C27H38O8
Exact Mass 490.256668 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID BVnwH3TfkJm
Name 21-Hydroxypregn-5-ene-3,11,20-trione, cyclic 3,20-bis(ethylene acetal), methyl carbonate
Source of Sample M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number 39900-65-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O8
InChI InChI=1S/C27H38O8/c1-24-8-9-26(32-10-11-33-26)14-17(24)4-5-18-19-6-7-21(25(19,2)15-20(28)22(18)24)27(34-12-13-35-27)16-31-23(29)30-3/h4,18-19,21-22H,5-16H2,1-3H3/t18-,19-,21-,22+,24-,25-/m0/s1
InChIKey DFEFTBYIMAZXEC-OFPZDURHSA-N
Literature Reference J. ORG. CHEM. 38, 2328(1973) Abstract-Chemical Abstracts= 79, 42737(1973)
Melting Point 166-167C
Molecular Weight 490.592987
Synonyms PREGN-5-ENE-3,11,20-TRIONE, 21-HYDROXY-, CYCLIC 3,20-BIS/ETHYLENE ACETAL/, METHYL CARBONATE
Technique KBr WAFER