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3-Methoxy-2'-phenyl-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene
SpectraBase Compound ID 2AVVJa87yGs
InChI InChI=1S/C27H31NO2/c1-27-13-12-22-21-11-9-20(29-2)14-18(21)8-10-23(22)24(27)15-19-16-28-26(30-25(19)27)17-6-4-3-5-7-17/h3-7,9,11,14,19,22-25H,8,10,12-13,15-16H2,1-2H3/t19-,22?,23?,24?,25+,27+/m1/s1
InChIKey OCLYALUYEMSFMA-AVUIMGRCSA-N
Mol Weight 401.55 g/mol
Molecular Formula C27H31NO2
Exact Mass 401.235479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9r4yQye0hgU
Name 3-Methoxy-2'-phenyl-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 C27H31NO2
InChI InChI=1S/C27H31NO2/c1-27-13-12-22-21-11-9-20(29-2)14-18(21)8-10-23(22)24(27)15-19-16-28-26(30-25(19)27)17-6-4-3-5-7-17/h3-7,9,11,14,19,22-25H,8,10,12-13,15-16H2,1-2H3/t19-,22?,23?,24?,25+,27+/m1/s1
InChIKey OCLYALUYEMSFMA-AVUIMGRCSA-N
Molecular Weight 401.550 g/mol
SMILES [C@]12(C(C3C(c4c(cc(OC)cc4)CC3)CC1)C[C@]1([C@@]2(OC(=NC1)c1ccccc1)[H])[H])C
SPLASH splash10-0udi-0100900000-af7c865110b2b2b0549e
Source of Spectrum G-63-1615-3
Wiley ID 749313