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3-Methoxy-2'-(4"-methoxyphenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6' : 16,17]estra-1,3,5(10)triene
SpectraBase Compound ID LVuEiSfAnA
InChI InChI=1S/C28H33NO3/c1-28-13-12-23-22-11-9-21(31-3)14-18(22)6-10-24(23)25(28)15-19-16-29-27(32-26(19)28)17-4-7-20(30-2)8-5-17/h4-5,7-9,11,14,19,23-26H,6,10,12-13,15-16H2,1-3H3/t19-,23?,24?,25?,26+,28+/m1/s1
InChIKey FQWSGVBCNPHVFQ-VZTSAEHSSA-N
Mol Weight 431.6 g/mol
Molecular Formula C28H33NO3
Exact Mass 431.246044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WQJ74vB2Q9
Name 3-Methoxy-2'-(4"-methoxyphenyl)-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 C28H33NO3
InChI InChI=1S/C28H33NO3/c1-28-13-12-23-22-11-9-21(31-3)14-18(22)6-10-24(23)25(28)15-19-16-29-27(32-26(19)28)17-4-7-20(30-2)8-5-17/h4-5,7-9,11,14,19,23-26H,6,10,12-13,15-16H2,1-3H3/t19-,23?,24?,25?,26+,28+/m1/s1
InChIKey FQWSGVBCNPHVFQ-VZTSAEHSSA-N
Molecular Weight 431.576 g/mol
SMILES [C@]12(C(C3C(c4c(cc(OC)cc4)CC3)CC1)C[C@]1([C@@]2(OC(=NC1)c1ccc(cc1)OC)[H])[H])C
SPLASH splash10-001i-0320900000-fc91d2afd07afba45772
Source of Spectrum G-63-1616-3
Synonyms 3-Methoxy-2'-(4''-methoxyphenyl)-16.beta.,17.beta.-dihydro-4'H-[1,3]oxazino[5',6':16,17]estra-1,3,5(10)triene
Wiley ID 749311