17, 21-Dihydroxypregn-4-ene-3,20-dione, 21-carbonate(2:1)

SpectraBase Compound ID	7qQvMcmhnR4
InChI	InChI=1S/C43H58O9/c1-38-15-9-27(44)21-25(38)5-7-29-31(38)11-17-40(3)33(29)13-19-42(40,49)35(46)23-51-37(48)52-24-36(47)43(50)20-14-34-30-8-6-26-22-28(45)10-16-39(26,2)32(30)12-18-41(34,43)4/h21-22,29-34,49-50H,5-20,23-24H2,1-4H3/t29-,30-,31+,32+,33+,34+,38+,39+,40+,41+,42+,43+/m1/s1
InChIKey	XBHOFNFNCADZGT-DMQXLMBYSA-N Google Search
Mol Weight	718.9 g/mol
Molecular Formula	C43H58O9
Exact Mass	718.408083 g/mol

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SpectraBase Spectrum ID	EAVDQ3q86VE
Name	17, 21-Dihydroxypregn-4-ene-3,20-dione, 21-carbonate(2:1)
Source of Sample	M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA
CAS Registry Number	36623-74-2
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C43H58O9
InChI	InChI=1S/C43H58O9/c1-38-15-9-27(44)21-25(38)5-7-29-31(38)11-17-40(3)33(29)13-19-42(40,49)35(46)23-51-37(48)52-24-36(47)43(50)20-14-34-30-8-6-26-22-28(45)10-16-39(26,2)32(30)12-18-41(34,43)4/h21-22,29-34,49-50H,5-20,23-24H2,1-4H3/t29-,30-,31+,32+,33+,34+,38+,39+,40+,41+,42+,43+/m1/s1
InChIKey	XBHOFNFNCADZGT-DMQXLMBYSA-N
Literature Reference	J. ORG. CHEM. 37, 3892(1972) Abstract-Chemical Abstracts= 78, 16355(1973)
Melting Point	275-276C (dec.)
Molecular Weight	718.927979
Synonyms	PREGN-4-ENE-3,20-DIONE, 17,21-DI- HYDROXY-, 21-CARBONATE /2 TO 1/
Technique	KBr WAFER