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(13E,16S,17R,18R)-17,18-Epoxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(7),13-dien-1,21-dione
SpectraBase Compound ID Cfv45fMC0k0
InChI InChI=1S/C28H35NO3/c1-17-9-8-12-21-15-18(2)19(3)24-22(16-20-10-6-5-7-11-20)29-26(31)28(21,24)23(30)13-14-27(4)25(17)32-27/h5-8,10-12,15,17,19,21-22,24-25H,9,13-14,16H2,1-4H3,(H,29,31)/b12-8+/t17-,19+,21-,22-,24-,25+,27+,28+/m0/s1
InChIKey IRVWCOZJKVYFQM-OCPRSABHSA-N
Mol Weight 433.6 g/mol
Molecular Formula C28H35NO3
Exact Mass 433.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8YqcY8XcxUN
Name (13E,16S,17R,18R)-17,18-Epoxy-16,18-dimethyl-10-phenyl[11]cytochalasa-6(7),13-dien-1,21-dione
Alternate Name(s) (3S,3aR,4S,6aS,10S,10aR,11aR,14aS)-3-benzyl-4,5,10,11a-tetramethyl-3,3a,4,6a,9,10,10a,11a,12,13-decahydro-1H-oxireno[2',3':7,8]cycloundeca[1,2-d]isoindole-1,14(2H)-dione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO3
InChI InChI=1S/C28H35NO3/c1-17-9-8-12-21-15-18(2)19(3)24-22(16-20-10-6-5-7-11-20)29-26(31)28(21,24)23(30)13-14-27(4)25(17)32-27/h5-8,10-12,15,17,19,21-22,24-25H,9,13-14,16H2,1-4H3,(H,29,31)/b12-8+/t17-,19+,21-,22-,24-,25+,27+,28+/m0/s1
InChIKey IRVWCOZJKVYFQM-OCPRSABHSA-N
Molecular Weight 433.592 g/mol
SMILES N1[C@]([C@]2([C@@]3(C1=O)[C@](C=C([C@]2(C)[H])C)(\C=C\C[C@](C)([C@@]1([C@](O1)(CCC3=O)C)[H])[H])[H])[H])(Cc1ccccc1)[H]
SPLASH splash10-0160-0000900000-1f229803b07f333d6def
Source of Spectrum KC-0-3276-25
Wiley ID 829447