3-Methoxy-2'-(4"-nitrrophenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene

SpectraBase Compound ID	7d4sL4wxBfQ
InChI	InChI=1S/C27H30N2O4/c1-27-12-11-22-21-10-8-20(32-2)13-17(21)5-9-23(22)24(27)14-18-15-28-26(33-25(18)27)16-3-6-19(7-4-16)29(30)31/h3-4,6-8,10,13,18,22-25H,5,9,11-12,14-15H2,1-2H3/t18-,22?,23?,24?,25+,27+/m1/s1
InChIKey	PBWYQVSJBLKCSG-VMEFYUDFSA-N Google Search
Mol Weight	446.55 g/mol
Molecular Formula	C27H30N2O4
Exact Mass	446.220557 g/mol

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SpectraBase Spectrum ID	7Kmtmn5pcHW
Name	3-Methoxy-2'-(4"-nitrrophenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H30N2O4
InChI	InChI=1S/C27H30N2O4/c1-27-12-11-22-21-10-8-20(32-2)13-17(21)5-9-23(22)24(27)14-18-15-28-26(33-25(18)27)16-3-6-19(7-4-16)29(30)31/h3-4,6-8,10,13,18,22-25H,5,9,11-12,14-15H2,1-2H3/t18-,22?,23?,24?,25+,27+/m1/s1
InChIKey	PBWYQVSJBLKCSG-VMEFYUDFSA-N
Molecular Weight	446.547 g/mol
SMILES	[C@]12(C(C3C(c4c(cc(OC)cc4)CC3)CC1)C[C@]1([C@@]2(OC(=NC1)c1ccc(N(=O)=O)cc1)[H])[H])C
SPLASH	splash10-0002-1300900000-6a8138cdc21c1a5d5878
Source of Spectrum	G-63-1616-3
Synonyms	3-Methoxy-2'-(4''-nitrrophenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6':16,17]estra-1,3,5(10)triene
Wiley ID	749308