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1H-cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)-

View entire compound with spectra: 1 MS (GC)

1H-cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)-
SpectraBase Compound ID 3QO0y9SSg3B
InChI InChI=1S/C24H35NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/b9-8-,14-11-/t16-,17+,18+,19+,20+,22+,24-/m1/s1
InChIKey GCIKKGSNXSCKCP-PYQFJVSSSA-N
Mol Weight 401.5 g/mol
Molecular Formula C24H35NO4
Exact Mass 401.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxA6NQ5weQg
Name 1H-cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,4,6a,9,10,11,12-octahydro-11,12-dihydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,4S,6aS,7E,11S,12S,13E,15aS)-
CAS Registry Number 72401-79-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35NO4
InChI InChI=1S/C24H35NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/b9-8-,14-11-/t16-,17+,18+,19+,20+,22+,24-/m1/s1
InChIKey GCIKKGSNXSCKCP-PYQFJVSSSA-N
Molecular Weight 401.547 g/mol
SMILES N1[C@]([C@]2([C@@]3(C(\C=C/[C@@]([C@](CC\C(=C/[C@]3(C=C([C@]2(C)[H])C)[H])C)(O)[H])(O)[H])=O)C1=O)[H])(CC(C)C)[H]
SPLASH splash10-05fr-6941100000-fa4043ddd56f35c04f7f
Source of Spectrum H-62-1517-0
Synonyms Aspochalasin C
Wiley ID 1370041