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contrunculin-A
SpectraBase Compound ID AoYP4NcmEAN
InChI InChI=1S/C16H24O/c1-8-5-11-12-6-13-9(2)15(11)14(17-13)7-16(12,4)10(8)3/h5,9-15H,6-7H2,1-4H3/t9-,10+,11+,12-,13+,14+,15-,16-/m1/s1
InChIKey QQRSEWRIKDGNQM-XMMDLHNASA-N
Mol Weight 232.37 g/mol
Molecular Formula C16H24O
Exact Mass 232.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JntZUwfxCNk
Name contrunculin-A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O
InChI InChI=1S/C16H24O/c1-8-5-11-12-6-13-9(2)15(11)14(17-13)7-16(12,4)10(8)3/h5,9-15H,6-7H2,1-4H3/t9-,10+,11+,12-,13+,14+,15-,16-/m1/s1
InChIKey QQRSEWRIKDGNQM-XMMDLHNASA-N
Molecular Weight 232.367 g/mol
SMILES [C@]12([C@]3([C@](C(=C[C@@]2([C@@]2([C@@](O[C@]([C@]2(C)[H])(C1)[H])(C3)[H])[H])[H])C)(C)[H])C)[H]
SPLASH splash10-0540-0920000000-bfae9386c8026a3aede7
Source of Spectrum B-46-1363-0
Synonyms (3S,4S,7S,8S,10S,11S,12S)-6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.0(3,8).0(4,11)]tridec-5-ene
Wiley ID 1234435