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Estra-1,3,5(10)-trien-17-one, 4-hydroxy-3-methoxy-
SpectraBase Compound ID I26UImYpBkU
InChI InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(22-2)18(21)14(11)4-3-13(12)15(19)6-8-17(19)20/h5,7,12-13,15,21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1
InChIKey XITPEPUPAYFVDV-BFDPJXHCSA-N
Mol Weight 300.4 g/mol
Molecular Formula C19H24O3
Exact Mass 300.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9nredCgR0x
Name Estra-1,3,5(10)-trien-17-one, 4-hydroxy-3-methoxy-
Alternate Name(s) (8R,9S,13S,14S)-3-methoxy-13-methyl-4-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one (8R,9S,13S,14S)-4-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one 4-Hydroxy-3-methoxy-1,3,5(10)-estratrien-17-one 4-Hydroxyestrone-3-methyl ether BRN 2509555
CAS Registry Number 5976-62-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24O3
InChI InChI=1S/C19H24O3/c1-19-10-9-12-11-5-7-16(22-2)18(21)14(11)4-3-13(12)15(19)6-8-17(19)20/h5,7,12-13,15,21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,19+/m1/s1
InChIKey XITPEPUPAYFVDV-BFDPJXHCSA-N
Molecular Weight 300.398 g/mol
SMILES Oc1c2c([C@]3(CC[C@]4([C@]([C@@]3(CC2)[H])(CCC4=O)[H])C)[H])ccc1OC
SPLASH splash10-0udi-1869000000-2d8db705c5df38425ced
Source of Spectrum W5-27045-0-0
Wiley ID 1303211