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D-Homoestra-1,3,5(10)-trien-17a-ol, 3-methoxy-, (9.beta.,17a.beta.)-
SpectraBase Compound ID Ctznl88JHJS
InChI InChI=1S/C20H28O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h7,9,12,16-19,21H,3-6,8,10-11H2,1-2H3/t16-,17?,18?,19-,20-/m0/s1
InChIKey ZUWNYXHSCSBLPY-AHTIFJERSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLrpAhakhr4
Name D-Homoestra-1,3,5(10)-trien-17a-ol, 3-methoxy-, (9.beta.,17a.beta.)-
Alternate Name(s) (1S,10bR,12aS)-8-methoxy-12a-methyl-1,2,3,4,4a,4b,5,6,10b,11,12,12a-dodecahydro-1-chrysenol 3-Methoxy-D-homo-9.beta.-estra-1,3,5(10)-trien-17a.beta.-ol
CAS Registry Number 65137-53-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-20-11-10-16-15-9-7-14(22-2)12-13(15)6-8-17(16)18(20)4-3-5-19(20)21/h7,9,12,16-19,21H,3-6,8,10-11H2,1-2H3/t16-,17?,18?,19-,20-/m0/s1
InChIKey ZUWNYXHSCSBLPY-AHTIFJERSA-N
Molecular Weight 300.442 g/mol
SMILES O[C@@]1([C@@]2(C(C3CCc4c([C@@]3(CC2)[H])ccc(OC)c4)CCC1)C)[H]
SPLASH splash10-0uk9-0925000000-590359765b36c904e02a
Source of Spectrum H-60-2268-0
Wiley ID 1303330