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17a.beta.-(t-Butoxy)-3-methoxy-D-homo-9,10-seco-14.beta.-estra-1,3,5(10)-trien-9-one
SpectraBase Compound ID 8DI8CwUEPSW
InChI InChI=1S/C24H36O3/c1-23(2,3)27-22-11-7-10-20-19(21(25)14-15-24(20,22)4)13-12-17-8-6-9-18(16-17)26-5/h6,8-9,16,19-20,22H,7,10-15H2,1-5H3/t19-,20-,22-,24-/m0/s1
InChIKey YXMAJYVTMJFINI-QDNNMPSSSA-N
Mol Weight 372.5 g/mol
Molecular Formula C24H36O3
Exact Mass 372.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K6Xb5ipm1bw
Name 17a.beta.-(t-Butoxy)-3-methoxy-D-homo-9,10-seco-14.beta.-estra-1,3,5(10)-trien-9-one
CAS Registry Number 65083-05-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O3
InChI InChI=1S/C24H36O3/c1-23(2,3)27-22-11-7-10-20-19(21(25)14-15-24(20,22)4)13-12-17-8-6-9-18(16-17)26-5/h6,8-9,16,19-20,22H,7,10-15H2,1-5H3/t19-,20-,22-,24-/m0/s1
InChIKey YXMAJYVTMJFINI-QDNNMPSSSA-N
Molecular Weight 372.549 g/mol
SMILES [C@]12([C@]([C@](CCc3cc(OC)ccc3)(C(CC1)=O)[H])(CCC[C@@]2(OC(C)(C)C)[H])[H])C
SPLASH splash10-053r-3910000000-c2a187cdef96255638fb
Source of Spectrum H-60-2265-0
Synonyms 2(1H)-Naphthalenone, 5-(1,1-dimethylethoxy)octahydro-1-[2-(3-methoxyphenyl)ethyl]-4a-methyl-, [1S-(1.alpha.,4a.beta.,5.beta.,8a.alpha.)]- (1S,4aS,5S,8aS)-5-tert-butoxy-1-[2-(3-methoxyphenyl)ethyl]-4a-methyloctahydro-2(1H)-naphthalenone 17a.beta.-(t-Butoxy)-3-methoxy-D-homo-9,10-secoestra-1,3,5(10)-trien-9-one
Wiley ID 1355817