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3-Methoxy-Estra-1,3,5(10),6,8(9),11-hexaene
SpectraBase Compound ID Ix3Hdmgp1Cj
InChI InChI=1S/C19H20O/c1-19-10-3-4-18(19)17-7-5-13-12-14(20-2)6-8-15(13)16(17)9-11-19/h5-9,11-12,18H,3-4,10H2,1-2H3/t18-,19-/m0/s1
InChIKey NBKOEGQUOHVCSP-OALUTQOASA-N
Mol Weight 264.37 g/mol
Molecular Formula C19H20O
Exact Mass 264.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdhX3M5NDAb
Name 3-Methoxy-Estra-1,3,5(10),6,8(9),11-hexaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O
InChI InChI=1S/C19H20O/c1-19-10-3-4-18(19)17-7-5-13-12-14(20-2)6-8-15(13)16(17)9-11-19/h5-9,11-12,18H,3-4,10H2,1-2H3/t18-,19-/m0/s1
InChIKey NBKOEGQUOHVCSP-OALUTQOASA-N
Literature Reference DOI 10.1002/cber.19711040807
Molecular Weight 264.368 g/mol
SMILES c1cc2c(cc1OC)ccc1c2C=C[C@]2([C@]1(CCC2)[H])C
SPLASH splash10-0gvk-0390000000-141bcfcc2fcf3369d25d
Source of Spectrum K-104-2401-9
Synonyms (13S,14R)-3-methoxy-13-methyl-13,14,16,17-tetrahydro-15H-cyclopenta[a]phenanthrene
Wiley ID 1793448