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(17S)-17-methyl-17-[(4R)-1,4,5-trimethylhexyl]-15,16-dihydrocyclopenta[a]phenanthrene
SpectraBase Compound ID EnfE40kw70K
InChI InChI=1S/C27H34/c1-18(2)19(3)10-11-20(4)27(5)17-16-25-24-13-12-21-8-6-7-9-22(21)23(24)14-15-26(25)27/h6-9,12-15,18-20H,10-11,16-17H2,1-5H3/t19-,20?,27+/m1/s1
InChIKey WWZKKWGSVQRSNC-SQAAMZFGSA-N
Mol Weight 358.6 g/mol
Molecular Formula C27H34
Exact Mass 358.266051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BUmJ0M5Whun
Name (17S)-17-methyl-17-[(4R)-1,4,5-trimethylhexyl]-15,16-dihydrocyclopenta[a]phenanthrene
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.266051095 u
Formula C27H34
GC Column (50 m x 0.32 mm, film thickness 0.4 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C27H34/c1-18(2)19(3)10-11-20(4)27(5)17-16-25-24-13-12-21-8-6-7-9-22(21)23(24)14-15-26(25)27/h6-9,12-15,18-20H,10-11,16-17H2,1-5H3/t19-,20?,27+/m1/s1
InChIKey WWZKKWGSVQRSNC-SQAAMZFGSA-N
Instrument Name VG 7070E
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240170708
Molecular Weight 358.569 g/mol
Quality 693
SMILES C1=CC2=C(C=C1)C=CC1=C2C=CC2=C1CC[C@]2(C(C)CC[C@](C(C)C)(C)[H])C
SPLASH splash10-001i-6290000000-733963b3fbce7c36726b
Source of Spectrum HRC-17-551-Figure 5 (DOI: 10.1002/jhrc.1240170708)
Wiley ID 1911574