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3-Methoxy-2'-(4"-methylphenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene
SpectraBase Compound ID 2wTXox87pPW
InChI InChI=1S/C28H33NO2/c1-17-4-6-18(7-5-17)27-29-16-20-15-25-24-10-8-19-14-21(30-3)9-11-22(19)23(24)12-13-28(25,2)26(20)31-27/h4-7,9,11,14,20,23-26H,8,10,12-13,15-16H2,1-3H3/t20-,23?,24?,25?,26+,28+/m1/s1
InChIKey UJHALPQDRJGTFW-MFZATRKQSA-N
Mol Weight 415.6 g/mol
Molecular Formula C28H33NO2
Exact Mass 415.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APDl5qToiaF
Name 3-Methoxy-2'-(4"-methylphenyl)-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 C28H33NO2
InChI InChI=1S/C28H33NO2/c1-17-4-6-18(7-5-17)27-29-16-20-15-25-24-10-8-19-14-21(30-3)9-11-22(19)23(24)12-13-28(25,2)26(20)31-27/h4-7,9,11,14,20,23-26H,8,10,12-13,15-16H2,1-3H3/t20-,23?,24?,25?,26+,28+/m1/s1
InChIKey UJHALPQDRJGTFW-MFZATRKQSA-N
Molecular Weight 415.577 g/mol
SMILES [C@]12(C(C3C(c4c(cc(OC)cc4)CC3)CC1)C[C@]1([C@@]2(OC(=NC1)c1ccc(cc1)C)[H])[H])C
SPLASH splash10-014i-0210900000-67fd5fa53052499847ae
Source of Spectrum G-63-1616-3
Wiley ID 749312