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6-Oxaestra-1,3,5(10),8-tetraen-7-one, 17-hydroxy-3-methoxy-, (17.beta.)-(.+-.)-
SpectraBase Compound ID 8h5qQxP1GFm
InChI InChI=1S/C18H20O4/c1-18-8-7-12-11-4-3-10(21-2)9-14(11)22-17(20)16(12)13(18)5-6-15(18)19/h3-4,9,13,15,19H,5-8H2,1-2H3/t13-,15-,18-/m0/s1
InChIKey WJYZIEBTLMHRNF-YEWWUXTCSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DOYvrB57vsa
Name 6-Oxaestra-1,3,5(10),8-tetraen-7-one, 17-hydroxy-3-methoxy-, (17.beta.)-(.+-.)-
CAS Registry Number 127761-21-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O4
InChI InChI=1S/C18H20O4/c1-18-8-7-12-11-4-3-10(21-2)9-14(11)22-17(20)16(12)13(18)5-6-15(18)19/h3-4,9,13,15,19H,5-8H2,1-2H3/t13-,15-,18-/m0/s1
InChIKey WJYZIEBTLMHRNF-YEWWUXTCSA-N
Molecular Weight 300.354 g/mol
SMILES O[C@@]1([C@@]2([C@](C3=C(c4ccc(cc4OC3=O)OC)CC2)(CC1)[H])C)[H]
SPLASH splash10-0f6x-0594000000-4111e8315250d8ce83ad
Source of Spectrum B-42-1777-13
Synonyms Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10),8-tetraen-7-one deriv. (+-)-17.beta.-hydroxy-3-methoxy-6-oxaestra-1,3,5(10),8(9)-tetraen-7-one (1S,3aR,11aS)-1-hydroxy-7-methoxy-11a-methyl-2,3,3a,10,11,11a-hexahydroindeno[4,5-c]chromen-4(1H)-one
Wiley ID 1303056