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K1EwovbuYZC
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K1EwovbuYZC
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Mass Spectrum (GC)
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1-(1,5-Dimethylhexyl)-8a,10a-dimethyl-6a-phenylhexadecahydro-1H-cyclopenta[7,8]phenanthro[2,3-b]oxirene
SpectraBase Compound ID GxqUrt9Pn3g
InChI InChI=1S/C33H50O/c1-22(2)10-9-11-23(3)27-16-17-28-26-15-14-25-20-33(24-12-7-6-8-13-24)30(34-33)21-32(25,5)29(26)18-19-31(27,28)4/h6-8,12-13,22-23,25-30H,9-11,14-21H2,1-5H3/t23-,25?,26+,27-,28+,29+,30?,31-,32+,33?/m1/s1
InChIKey KAWPOUBIHLMOSO-KEZMVNRISA-N
Mol Weight 462.8 g/mol
Molecular Formula C33H50O
Exact Mass 462.386166 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1EwovbuYZC
Name 1-(1,5-DIMETHYLHEXYL)-8A,10A-DIMETHYL-6A-PHENYLHEXADECAHYDRO-1H-CYCLOPENTA[7,8]PHENANTHRO[2,3-B]OXIRENE
CAS Registry Number 88446-81-5
Copyright Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 462.386166229 u
Formula C33H50O
InChI InChI=1S/C33H50O/c1-22(2)10-9-11-23(3)27-16-17-28-26-15-14-25-20-33(24-12-7-6-8-13-24)30(34-33)21-32(25,5)29(26)18-19-31(27,28)4/h6-8,12-13,22-23,25-30H,9-11,14-21H2,1-5H3/t23-,25?,26+,27-,28+,29+,30?,31-,32+,33?/m1/s1
InChIKey KAWPOUBIHLMOSO-KEZMVNRISA-N
Molecular Weight 462.762 g/mol
Nominal Mass 462 u
Number of Peaks 344
SMILES C12(C(C[C@@]3([C@]4(CC[C@@]5([C@](CC[C@]5([C@@]4(CCC3C2)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)O1)c1ccccc1
SPLASH splash10-0a4j-5911200000-c3e54bccb96964503c34
Source File Reference LMCM-48984-835D
Synonyms (1S,2S,11R,12S,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-6-phenyl-5-oxapentacyclo[9.7.0.0(2,8).0(4,6).0(12,16)]octadecane
Wiley ID 8_8567
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