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17.beta.-(t-Butoxy)-9.beta.-estra-1,3,5(10),6,11(12)-pentaene
SpectraBase Compound ID Kj2jMMCPyw5
InChI InChI=1S/C22H28O/c1-21(2,3)23-20-12-11-19-18-10-9-15-7-5-6-8-16(15)17(18)13-14-22(19,20)4/h5-10,13-14,17-20H,11-12H2,1-4H3/t17-,18+,19-,20-,22-/m0/s1
InChIKey LZDDCSUAUYBASU-XCRACJGTSA-N
Mol Weight 308.47 g/mol
Molecular Formula C22H28O
Exact Mass 308.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErOhokemQ0i
Name 17.beta.-(t-Butoxy)-9.beta.-estra-1,3,5(10),6,11(12)-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O
InChI InChI=1S/C22H28O/c1-21(2,3)23-20-12-11-19-18-10-9-15-7-5-6-8-16(15)17(18)13-14-22(19,20)4/h5-10,13-14,17-20H,11-12H2,1-4H3/t17-,18+,19-,20-,22-/m0/s1
InChIKey LZDDCSUAUYBASU-XCRACJGTSA-N
Molecular Weight 308.465 g/mol
SMILES [C@@]12([C@]([C@@]3(C=Cc4c([C@@]3(C=C2)[H])cccc4)[H])(CC[C@@]1(OC(C)(C)C)[H])[H])C
SPLASH splash10-001i-1090000000-b6f88e96df9b10dbdaaf
Source of Spectrum C-120-8976-1a
Synonyms (-)-17.beta.-tert-Butyloxy-9.beta.-estra-1,3,5(10),6,11(12)-pentaene (9beta,17beta)-17-tert-butoxyestra-1,3,5(10),6,11-pentaene
Wiley ID 1699849