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3'H-Cycloprop[16,17]androst-16-en-3-one, 16,17-dihydro-16-(1-methylethyl)-, (5.beta.,14.beta.,16.alpha.,17.alpha.)-
SpectraBase Compound ID 6LS2vgZCyA3
InChI InChI=1S/C23H36O/c1-14(2)23-12-19-17-6-5-15-11-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(23)13-23/h14-15,17-20H,5-13H2,1-4H3/t15-,17-,18+,19-,20?,21+,22+,23-/m1/s1
InChIKey OBTNFDSMSAJVIO-AFWYDENMSA-N
Mol Weight 328.5 g/mol
Molecular Formula C23H36O
Exact Mass 328.276616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3edIMYsnYAp
Name 3'H-Cycloprop[16,17]androst-16-en-3-one, 16,17-dihydro-16-(1-methylethyl)-, (5.beta.,14.beta.,16.alpha.,17.alpha.)-
CAS Registry Number 88166-46-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O
InChI InChI=1S/C23H36O/c1-14(2)23-12-19-17-6-5-15-11-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(23)13-23/h14-15,17-20H,5-13H2,1-4H3/t15-,17-,18+,19-,20?,21+,22+,23-/m1/s1
InChIKey OBTNFDSMSAJVIO-AFWYDENMSA-N
Molecular Weight 328.540 g/mol
SMILES [C@]12(C([C@]3(CC[C@@]4([C@]5(CCC(C[C@]5(CC[C@]4([C@]3(C1)[H])[H])[H])=O)C)[H])C)C2)C(C)C
SPLASH splash10-002r-0095000000-e67c2987b89ee3614cd8
Source of Spectrum H-66-1816-0
Synonyms (4aS,4bS,6aS,7aS,8aR,8bR,10aR)-7a-isopropyl-4a,6a-dimethylhexadecahydrocyclopropa[3,4]cyclopenta[1,2-a]phenanthren-2(1H)-one 16.alpha.-isopropyl-16,17.beta.-dihydro-3'h-cycloprop[16,17]-5.beta.14.beta.-androstan-3-one Cyclopropa[16,17]cyclopenta[a]phenanthrene, 3'h-cycloprop[16,17]androst-16-en-3-one deriv.
Wiley ID 1326853