Carbamic acid, [(3.beta.,5.alpha.,20R)-3-(acetyloxy)pregnan-20-yl]nitro-, ethyl ester

SpectraBase Compound ID	1SjP8m88lHr
InChI	InChI=1S/C26H42N2O6/c1-6-33-24(30)27(28(31)32)16(2)21-9-10-22-20-8-7-18-15-19(34-17(3)29)11-13-25(18,4)23(20)12-14-26(21,22)5/h16,18-23H,6-15H2,1-5H3/t16-,18+,19+,20?,21-,22?,23?,25+,26-/m1/s1
InChIKey	LZBYWRUYEGAUIX-UYYPUEGHSA-N Google Search
Mol Weight	478.6 g/mol
Molecular Formula	C26H42N2O6
Exact Mass	478.304287 g/mol

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SpectraBase Spectrum ID	9SyGtMrrPop
Name	Carbamic acid, [(3.beta.,5.alpha.,20R)-3-(acetyloxy)pregnan-20-yl]nitro-, ethyl ester
CAS Registry Number	120563-72-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H42N2O6
InChI	InChI=1S/C26H42N2O6/c1-6-33-24(30)27(28(31)32)16(2)21-9-10-22-20-8-7-18-15-19(34-17(3)29)11-13-25(18,4)23(20)12-14-26(21,22)5/h16,18-23H,6-15H2,1-5H3/t16-,18+,19+,20?,21-,22?,23?,25+,26-/m1/s1
InChIKey	LZBYWRUYEGAUIX-UYYPUEGHSA-N
Molecular Weight	478.630 g/mol
SMILES	[C@@](N(N(=O)=O)C(=O)OCC)([C@@]1([C@@]2(C(C3CC[C@@]4([C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)[H])CC1)C)[H])(C)[H]
SPLASH	splash10-0006-0009600000-6241ca078dc0756bdf55
Source of Spectrum	KC-1988-3262-30
Synonyms	Pregnane, carbamic acid deriv. (20R)-20-ethoxycarbonyl(nitro)amino-5.alpha.-pregnan-3.beta.-yl acetate Ethyl 1-[(3beta,5alpha,20R)-3-(acetyloxy)pregnan-20-yl]-2lambda(1)-diazanecarboxylate 2,2-dioxide
Wiley ID	1394752