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Cespitularin E
SpectraBase Compound ID 16dt5xhZ6oh
InChI InChI=1S/C19H28O2/c1-13-8-9-15-6-5-7-17(19(15,3)4)18(21)12-14(2)11-16(20)10-13/h7,11,15-16,20H,1,5-6,8-10,12H2,2-4H3/b14-11+/t15-,16?/m0/s1
InChIKey JWAJDLYSFBHBSW-ANCIEEHGSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6meLtz39b4d
Name Cespitularin E
Appearance resinous oil
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-13-8-9-15-6-5-7-17(19(15,3)4)18(21)12-14(2)11-16(20)10-13/h7,11,15-16,20H,1,5-6,8-10,12H2,2-4H3/b14-11+/t15-,16?/m0/s1
InChIKey JWAJDLYSFBHBSW-ANCIEEHGSA-N
Instrument Name JEOL JMS-SX/SX 102A
Ionization Type EI
Literature Reference DOI 10.1021/np020077w
Molecular Weight 288.431 g/mol
Optical Rotation [a]D25 = +122.3 (c = 0.22, CHCl3)
SMILES OC1CC(CC[C@]2(C(C(=CCC2)C(C\C(=C\1)C)=O)(C)C)[H])=C
SPLASH splash10-052r-0900000000-b826c1e924cd444c6beb
Source of Spectrum G4-65-1433-5
Wiley ID 1883360