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(-)-Caprudiene A
SpectraBase Compound ID EBdSOFZDJpp
InChI InChI=1S/C25H40/c1-17(2)19-10-11-23(4)12-13-24(5)14-15-25(6)18(3)8-7-9-20(25)22(24)16-21(19)23/h18-19,21H,1,7-16H2,2-6H3/t18-,19-,21+,23-,24+,25+/m1/s1
InChIKey KRUVBHMIRRXOIX-RFKAEEHHSA-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 DKr5vJrq27Z
Name (-)-Caprudiene A
Appearance Colorless liquid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40
InChI InChI=1S/C25H40/c1-17(2)19-10-11-23(4)12-13-24(5)14-15-25(6)18(3)8-7-9-20(25)22(24)16-21(19)23/h18-19,21H,1,7-16H2,2-6H3/t18-,19-,21+,23-,24+,25+/m1/s1
InChIKey KRUVBHMIRRXOIX-RFKAEEHHSA-N
Inlet Type Splitless
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/anie.201711444
Molecular Weight 340.595 g/mol
Optical Rotation [a]D20 = -124.3 (c = 0.23, acetone)
Quality 807
SMILES C=12[C@@](CC[C@@]3([C@@](C2)([C@](CC3)(C(C)=C)[H])[H])C)(CC[C@@]2(C1CCC[C@]2(C)[H])C)C
SPLASH splash10-054o-3932000000-5f0ac767dd457c698746
Source of Spectrum ACI-57-SM20-4 (DOI: 10.1002/anie.201711444)
Wiley ID 1891185