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Aspergildiene D
SpectraBase Compound ID 62O8VVcN4V4
InChI InChI=1S/C25H40/c1-15(2)19-11-12-25(6)14-23-17(4)7-9-20-16(3)8-10-21(20)18(5)22(23)13-24(19)25/h15-17,19-21,24H,5,7-14H2,1-4,6H3/t16-,17-,19-,20-,21+,24-,25+/m0/s1
InChIKey IEMJRSJGYNQVBY-CZYFTDBTSA-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 EePl2OAw06L
Name (3S,6S,7S,10S,13R,16S,17S)-6,10,13-trimethyl-2-methylidene-16-(propan-2-yl)tetracyclo[9.7.0.0(3,7).0(13,17)]octadec-1(11)-ene
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Formula C25H40
InChI InChI=1S/C25H40/c1-15(2)19-11-12-25(6)14-23-17(4)7-9-20-16(3)8-10-21(20)18(5)22(23)13-24(19)25/h15-17,19-21,24H,5,7-14H2,1-4,6H3/t16-,17-,19-,20-,21+,24-,25+/m0/s1
InChIKey IEMJRSJGYNQVBY-CZYFTDBTSA-N
Instrument Name Varian 450
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.0c03996
Molecular Weight 340.595 g/mol
SMILES [C@@]12([C@]([H])([C@](CC2)(C)[H])CC[C@](C)(C2=C(C[C@@]3([C@](C2)(C)CC[C@]3(C(C)C)[H])[H])C1=C)[H])[H]
SPLASH splash10-0a4s-5920000000-19d5aac6f5eddbd8f74c
Source of Spectrum A1-23-SM34-5
Wiley ID 1865963