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Tricycloalterfurene A
SpectraBase Compound ID Avf2cLkho4A
InChI InChI=1S/C21H30O4/c1-13(2)6-5-7-14(3)10-15-12-21(4)19(24-15)11-16-17(22)8-9-18(23)20(16)25-21/h6,10,15,18-19,23H,5,7-9,11-12H2,1-4H3/b14-10+/t15-,18-,19+,21+/m0/s1
InChIKey QCNXEAUXCVROLM-XVSBMABSSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B41OsdXRUNU
Name Tricycloalterfurene A
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-13(2)6-5-7-14(3)10-15-12-21(4)19(24-15)11-16-17(22)8-9-18(23)20(16)25-21/h6,10,15,18-19,23H,5,7-9,11-12H2,1-4H3/b14-10+/t15-,18-,19+,21+/m0/s1
InChIKey QCNXEAUXCVROLM-XVSBMABSSA-N
Instrument Name Autospec Premier P776
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00478
Molecular Weight 346.467 g/mol
Optical Rotation [a]D23 = +145 (c = 0.28, MeOH)
Reported Formula C21H30O4
SMILES O[C@]1(CCC(C=2C[C@]3(O[C@@](\C=C\(CCC=C(C)C)C)(C[C@]3(OC12)C)[H])[H])=O)[H]
SPLASH splash10-0002-7918000000-adcacc39bff945f00511
Source of Spectrum G4-80-2528-2
Wiley ID 1867631