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(3.alpha.,7a.alpha.,7b.beta.,12.beta.,14a.beta.,14b.alpha.)-4-Methyl-(tetradecahydro-14-oxo-3,7a:7b,12-dimethanocyclobuta[1,2:3,4]dicyclononen-1(8H)-ylidene)hydrazide benzenesulfonic acid
SpectraBase Compound ID 95jFdPM1OdU
InChI InChI=1S/C27H36N2O3S/c1-18-8-10-21(11-9-18)33(31,32)29-28-22-14-19-6-2-4-12-26(16-19)24(22)25-23(30)15-20-7-3-5-13-27(25,26)17-20/h8-11,19-20,24-25,29H,2-7,12-17H2,1H3/b28-22+/t19-,20+,24-,25-,26+,27-/m1/s1
InChIKey GXGXPBFBXJDNOB-JEUHFUOOSA-N
Mol Weight 468.7 g/mol
Molecular Formula C27H36N2O3S
Exact Mass 468.244664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErnGYEfUpvO
Name (3.alpha.,7a.alpha.,7b.beta.,12.beta.,14a.beta.,14b.alpha.)-4-Methyl-(tetradecahydro-14-oxo-3,7a:7b,12-dimethanocyclobuta[1,2:3,4]dicyclononen-1(8H)-ylidene)hydrazide benzenesulfonic acid
CAS Registry Number 79135-45-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36N2O3S
InChI InChI=1S/C27H36N2O3S/c1-18-8-10-21(11-9-18)33(31,32)29-28-22-14-19-6-2-4-12-26(16-19)24(22)25-23(30)15-20-7-3-5-13-27(25,26)17-20/h8-11,19-20,24-25,29H,2-7,12-17H2,1H3/b28-22+/t19-,20+,24-,25-,26+,27-/m1/s1
InChIKey GXGXPBFBXJDNOB-JEUHFUOOSA-N
Molecular Weight 468.656 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)\N=C\1[C@@]2([C@@]3([C@]4([C@@]22C[C@@](CCCC2)([H])C1)C[C@](CC3=O)(CCCC4)[H])[H])[H]
SPLASH splash10-0006-9300000000-b9334dfd3cce89dbf47e
Source of Spectrum J-46-4642-0
Synonyms 4-Methyl-N'-[(1S,2S,7S,9E,10R,11R,14S)-12-oxopentacyclo[12.4.1.1(2,7).0(1,11).0(2,10)]icos-9-ylidene]benzenesulfonohydrazide
Wiley ID 1392438