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(17aR)-3-(Benzyloxy)-17a-methyl-17a-homo-17-oxaestra-1,3,5(10)-triene-16-one
SpectraBase Compound ID 1YWJrcyFJZd
InChI InChI=1S/C26H30O3/c1-17-26(2)13-12-22-21-11-9-20(28-16-18-6-4-3-5-7-18)14-19(21)8-10-23(22)24(26)15-25(27)29-17/h3-7,9,11,14,17,22-24H,8,10,12-13,15-16H2,1-2H3/t17-,22-,23-,24+,26-/m1/s1
InChIKey HMXSVDNTDKJHAX-AWGGUZNFSA-N
Mol Weight 390.52 g/mol
Molecular Formula C26H30O3
Exact Mass 390.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IRYBjhgNjNm
Name (17aR)-3-(Benzyloxy)-17a-methyl-17a-homo-17-oxaestra-1,3,5(10)-triene-16-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O3
InChI InChI=1S/C26H30O3/c1-17-26(2)13-12-22-21-11-9-20(28-16-18-6-4-3-5-7-18)14-19(21)8-10-23(22)24(26)15-25(27)29-17/h3-7,9,11,14,17,22-24H,8,10,12-13,15-16H2,1-2H3/t17-,22-,23-,24+,26-/m1/s1
InChIKey HMXSVDNTDKJHAX-AWGGUZNFSA-N
Molecular Weight 390.523 g/mol
SMILES [C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCc2ccccc2)c4)[H])(CC(O[C@@]1(C)[H])=O)[H])C
SPLASH splash10-0006-9012000000-e2c351c6bb89ccc626e4
Source of Spectrum Y2-70-66-5
Synonyms (1R,4aS,4bR,10bS,12aS)-8-(benzyloxy)-1,12a-dimethyl-1,4,4a,4b,5,6,10b,11,12,12a-decahydro-3H-phenanthro[2,1-c]pyran-3-one
Wiley ID 1587465