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6-Oxaestra-1,3,5(10)-trien-17-one, 7-hydroxy-3-methoxy-, (7.alpha.,8.alpha.,14.beta.)-
SpectraBase Compound ID bT2auC8J2I
InChI InChI=1S/C18H22O4/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/h3-4,9,12-13,16-17,20H,5-8H2,1-2H3/t12-,13-,16+,17-,18+/m1/s1
InChIKey ROFLILZOFKTACW-GPYXMWEOSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uNCCjWi37i
Name 6-Oxaestra-1,3,5(10)-trien-17-one, 7-hydroxy-3-methoxy-, (7.alpha.,8.alpha.,14.beta.)-
CAS Registry Number 73276-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4
InChI InChI=1S/C18H22O4/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/h3-4,9,12-13,16-17,20H,5-8H2,1-2H3/t12-,13-,16+,17-,18+/m1/s1
InChIKey ROFLILZOFKTACW-GPYXMWEOSA-N
Molecular Weight 302.370 g/mol
SMILES O[C@]1([C@@]2([C@@]3([C@@](C(=O)CC3)(CC[C@@]2(c2ccc(cc2O1)OC)[H])C)[H])[H])[H]
SPLASH splash10-0w90-0902000000-e9e12ea3e315486d2eaf
Source of Spectrum I-58-1433-0
Synonyms (3aR,3bS,4R,9bS,11aS)-4-hydroxy-7-methoxy-11a-methyl-3,3a,3b,4,9b,10,11,11a-octahydroindeno[4,5-c]chromen-1(2H)-one 8.alpha.,14.beta.-3-methoxy-7-hydroxy-6-oxaestra-1,3,5(10)-trien-17-one Benz[b]indeno[5,4-d]pyran, 6-oxaestra-1,3,5(10)-trien-17-one deriv.
Wiley ID 1304802