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[1S,3aS,4S,7aS]-(+)-1-tert-Butoxy-4-(2'-m-methoxyphenylethyl)-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan-5-one
SpectraBase Compound ID JGVWZpKUx89
InChI InChI=1S/C23H34O3/c1-22(2,3)26-21-12-11-19-18(20(24)13-14-23(19,21)4)10-9-16-7-6-8-17(15-16)25-5/h6-8,15,18-19,21H,9-14H2,1-5H3/t18-,19-,21-,23-/m0/s1
InChIKey ZXIUTJLAUSZTGE-YDWJEQILSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fa4vjzPtu9j
Name [1S,3aS,4S,7aS]-(+)-1-tert-Butoxy-4-(2'-m-methoxyphenylethyl)-7a-methyl-3a,4,7,7a-tetrahydro-5(6)-indan-5-one
Alternate Name(s) (17beta)-17-tert-butoxy-1-methoxy-9,10-secoestra-1(10),2,4-trien-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-22(2,3)26-21-12-11-19-18(20(24)13-14-23(19,21)4)10-9-16-7-6-8-17(15-16)25-5/h6-8,15,18-19,21H,9-14H2,1-5H3/t18-,19-,21-,23-/m0/s1
InChIKey ZXIUTJLAUSZTGE-YDWJEQILSA-N
Molecular Weight 358.522 g/mol
SMILES [C@]12([C@]([C@](CCc3cc(OC)ccc3)(C(CC1)=O)[H])(CC[C@@]2(OC(C)(C)C)[H])[H])C
SPLASH splash10-0aor-7902000000-51822d6a33a21093f0e8
Source of Spectrum F-47-7591-10
Wiley ID 1347425