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Ergosterol TMS
SpectraBase Compound ID 27nEfwap7W3
InChI InChI=1S/C31H52OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h10-13,21-23,25,27-29H,14-20H2,1-9H3/b11-10+/t22-,23+,25-,27+,28-,29-,30-,31+/m0/s1
InChIKey OPWXUPLJCANTIU-SCFYJWQTSA-N
Mol Weight 468.8 g/mol
Molecular Formula C31H52OSi
Exact Mass 468.378743 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JO5p50657uD
Name [(3S,9S,10R,13R,14R,17R)-10,13-dimethyl-17-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy-trimethyl-silane
Carrier Gas Helium (1.2 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.378742828 u
Formula C31H52OSi
GC Column DB-5MS (60 m ?? 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C31H52OSi/c1-21(2)22(3)10-11-23(4)27-14-15-28-26-13-12-24-20-25(32-33(7,8)9)16-18-30(24,5)29(26)17-19-31(27,28)6/h10-13,21-23,25,27-29H,14-20H2,1-9H3/b11-10+/t22-,23+,25-,27+,28-,29-,30-,31+/m0/s1
InChIKey OPWXUPLJCANTIU-SCFYJWQTSA-N
Inlet Type Split (5:1)
Instrument Name HP 6890 GC-HP MD5973
Ionization Type EI
Literature Reference DOI 10.1002/jssc.200800108
Molecular Weight 468.841 g/mol
Quality 902
SMILES CC([C@](\C=C\[C@@](C)([C@@]1([C@@]2([C@@](C=3[C@](CC2)([C@]2(CC[C@@](CC2=CC3)(O[Si](C)(C)C)[H])C)[H])([H])CC1)C)[H])[H])(C)[H])C
SPLASH splash10-0229-5923000000-47bc0c73c70730c7858c
Source of Spectrum SEP-31-2454-Figure 2-A (DOI: 10.1002/jssc.200800108)
Wiley ID 1909610