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Estra-1,3,5(10)-trien-17-one, 2-hydroxy-3-methoxy-, O-methyloxime
SpectraBase Compound ID LRNkAexcrHU
InChI InChI=1S/C20H27NO3/c1-20-9-8-13-14(16(20)6-7-19(20)21-24-3)5-4-12-10-18(23-2)17(22)11-15(12)13/h10-11,13-14,16,22H,4-9H2,1-3H3/b21-19+
InChIKey CTHWYKVANHQXHF-XUTLUUPISA-N
Mol Weight 329.44 g/mol
Molecular Formula C20H27NO3
Exact Mass 329.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I8cvfH7nSP
Name Estra-1,3,5(10)-trien-17-one, 2-hydroxy-3-methoxy-, O-methyloxime
CAS Registry Number 74299-30-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-20-9-8-13-14(16(20)6-7-19(20)21-24-3)5-4-12-10-18(23-2)17(22)11-15(12)13/h10-11,13-14,16,22H,4-9H2,1-3H3/b21-19+
InChIKey CTHWYKVANHQXHF-XUTLUUPISA-N
Molecular Weight 329.440 g/mol
SMILES Oc1c(cc2CCC3C4CC\C(=N/OC)C4(CCC3c2c1)C)OC
SPLASH splash10-004m-5985000000-7e70d4168d2c4679a2b2
Source of Spectrum W5-29460-0-0
Synonyms 2-Hydroxy-3-methoxyestra-1,3,5(10)-trien-17-one o-methyloxime (17E)-3-methoxy-13-methyl-17-methyloximino-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-ol (17E)-3-methoxy-17-methoxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-2-ol
Wiley ID 1327227