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12-Nor[13]cytochalas-6-ene-1,23-dione, 10-phenyl-, (5S,8R)-
SpectraBase Compound ID 9y60vHfDJNH
InChI InChI=1S/C27H37NO2/c1-20-17-18-22-15-11-6-4-2-3-5-7-12-16-24(29)27(22)25(20)23(28-26(27)30)19-21-13-9-8-10-14-21/h8-10,13-14,17-18,20,22-23,25H,2-7,11-12,15-16,19H2,1H3,(H,28,30)/t20-,22?,23+,25+,27?/m1/s1
InChIKey LNZRIEVTAHQYCP-CORCJGNRSA-N
Mol Weight 407.6 g/mol
Molecular Formula C27H37NO2
Exact Mass 407.282429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFMrAf6PG9E
Name 12-Nor[13]cytochalas-6-ene-1,23-dione, 10-phenyl-, (5S,8R)-
Alternate Name(s) 1H-Cyclotridec[d]isoindole, 12-nor[13]cytochalas-6-ene-1,23-dione deriv. (3S,3aR,4R)-3-benzyl-4-methyl-3,3a,4,6a,7,8,9,10,11,12,13,14,15,16-tetradecahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione (5S,8R)-10-phenyl-12-nor[13]cytochalas-6-ene-1,23-dione
CAS Registry Number 89164-24-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37NO2
InChI InChI=1S/C27H37NO2/c1-20-17-18-22-15-11-6-4-2-3-5-7-12-16-24(29)27(22)25(20)23(28-26(27)30)19-21-13-9-8-10-14-21/h8-10,13-14,17-18,20,22-23,25H,2-7,11-12,15-16,19H2,1H3,(H,28,30)/t20-,22?,23+,25+,27?/m1/s1
InChIKey LNZRIEVTAHQYCP-CORCJGNRSA-N
Molecular Weight 407.598 g/mol
SMILES N1[C@]([C@]2(C3(C1=O)C(C=C[C@]2(C)[H])CCCCCCCCCCC3=O)[H])(Cc1ccccc1)[H]
SPLASH splash10-0a4i-9000000000-fc2646cfb02920b47bba
Source of Spectrum KC-1989-495-26
Wiley ID 1372662