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Sesterviolene E
SpectraBase Compound ID KEIsPkOsw9m
InChI InChI=1S/C25H40/c1-19(2)23-16-18-25(6)17-15-22(5)12-8-10-20(3)9-7-11-21(4)13-14-24(23)25/h10-11,13-14,19,23-24H,5,7-9,12,15-18H2,1-4,6H3/b14-13+,20-10+,21-11+/t23-,24+,25+/m1/s1
InChIKey UVANSRLHDFEQAO-XLQIIVDFSA-N
Mol Weight 340.6 g/mol
Molecular Formula C25H40
Exact Mass 340.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5AChBmIkMa
Name Sesterviolene E
Carrier Gas Helium (1 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40
GC Column HP5-MS (30 m x 0.25 mm, film thickness 0.50 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C25H40/c1-19(2)23-16-18-25(6)17-15-22(5)12-8-10-20(3)9-7-11-21(4)13-14-24(23)25/h10-11,13-14,19,23-24H,5,7-9,12,15-18H2,1-4,6H3/b14-13+,20-10+,21-11+/t23-,24+,25+/m1/s1
InChIKey UVANSRLHDFEQAO-XLQIIVDFSA-N
Inlet Type splitless or split (50:1)
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.202215688
Molecular Weight 340.595 g/mol
Optical Rotation [a]D20 = -43.5 (c = 0.09, CH2Cl2)
Quality 407
Reported Formula C25H40
SMILES C1\C=C\(CC\C=C\(\C=C\[C@@]2([C@@](CCC(C1)=C)(CC[C@@]2(C(C)C)[H])C)[H])C)C
SPLASH splash10-0awd-8931000000-e312157f0ce6c94636b5
Source of Spectrum ACI-62-SM35-5 (DOI: 10.1002/anie.202215688)
Thin-Layer Chromatography 0.5 (n-hexane, 100%)
Wiley ID 1908261