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2(1H)-Naphthalenone, 5-(1,1-dimethylethoxy)octahydro-1-[2-(3-methoxyphenyl)-2-oxoethyl]-4a -methyl-, [1S-(1.alpha.,4a.beta.,5.beta.,8a.alpha.)]-
SpectraBase Compound ID 2zeLTdiiZHB
InChI InChI=1S/C24H34O4/c1-23(2,3)28-22-11-7-10-19-18(20(25)12-13-24(19,22)4)15-21(26)16-8-6-9-17(14-16)27-5/h6,8-9,14,18-19,22H,7,10-13,15H2,1-5H3/t18-,19-,22-,24-/m0/s1
InChIKey BGYIENXOGUNFKD-MWYJAUPDSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDoEY55OWUF
Name 2(1H)-Naphthalenone, 5-(1,1-dimethylethoxy)octahydro-1-[2-(3-methoxyphenyl)-2-oxoethyl]-4a -methyl-, [1S-(1.alpha.,4a.beta.,5.beta.,8a.alpha.)]-
Alternate Name(s) (1S,4aS,5S,8aS)-5-tert-butoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-4a-methyloctahydro-2(1H)-naphthalenone 17a.beta.-(t-Butoxy)-3-methoxy-D-homo-9,10-secoestra-1,3,5(10)-trien-6,9-dione
CAS Registry Number 65083-06-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-23(2,3)28-22-11-7-10-19-18(20(25)12-13-24(19,22)4)15-21(26)16-8-6-9-17(14-16)27-5/h6,8-9,14,18-19,22H,7,10-13,15H2,1-5H3/t18-,19-,22-,24-/m0/s1
InChIKey BGYIENXOGUNFKD-MWYJAUPDSA-N
Molecular Weight 386.532 g/mol
SMILES [C@]12([C@]([C@](CC(c3cc(OC)ccc3)=O)(C(CC1)=O)[H])(CCC[C@@]2(OC(C)(C)C)[H])[H])C
SPLASH splash10-052r-2911000000-0d568fa8cd9e322f1de5
Source of Spectrum H-60-2266-0
Wiley ID 1362856