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Cespitularin C
SpectraBase Compound ID JQi7OtFkndm
InChI InChI=1S/C20H32O/c1-14-7-6-8-15(2)13-18(21)19-16(3)10-12-17(11-9-14)20(19,4)5/h8,17-18,21H,1,6-7,9-13H2,2-5H3/b15-8+/t17-,18-/m1/s1
InChIKey BVJVBWNCZZIHMV-ZGOKVMRMSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsBSB6CSKKU
Name Cespitularin C
Appearance amorphous solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O
InChI InChI=1S/C20H32O/c1-14-7-6-8-15(2)13-18(21)19-16(3)10-12-17(11-9-14)20(19,4)5/h8,17-18,21H,1,6-7,9-13H2,2-5H3/b15-8+/t17-,18-/m1/s1
InChIKey BVJVBWNCZZIHMV-ZGOKVMRMSA-N
Instrument Name JEOL JMS-SX/SX 102A
Ionization Type EI
Literature Reference DOI 10.1021/np020077w
Molecular Weight 288.475 g/mol
Optical Rotation [a]D25 = -62.3 (c = 0.10, CHCl3)
Reported Formula C20H32O
SMILES O[C@]1(C2=C(CC[C@](C2(C)C)(CCC(CC\C=C\(C1)C)=C)[H])C)[H]
SPLASH splash10-0a4s-0910000000-ab126ca910f964622589
Source of Spectrum G4-65-1433-3
Wiley ID 1883358