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1,2,4-[1]Propanyl[3]ylidenepentalen-6-ol, decahydro-9-[(4-methylphenyl)sulfonyl]-, acetate, (1.alpha.,2.alpha.,3a.beta.,4.alph a.,6.alpha.,6a.beta.,7R*,9S*)-
SpectraBase Compound ID A7nc7bFtOEX
InChI InChI=1S/C20H24O4S/c1-10-3-5-12(6-4-10)25(22,23)18-9-14-13-8-17(24-11(2)21)19-15(13)7-16(14)20(18)19/h3-6,13-20H,7-9H2,1-2H3/t13-,14-,15+,16+,17-,18?,19+,20-/m1/s1
InChIKey LDPAZDDSVNHDOC-IEGMPAOWSA-N
Mol Weight 360.47 g/mol
Molecular Formula C20H24O4S
Exact Mass 360.13953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FydZVbtU9pz
Name 1,2,4-[1]Propanyl[3]ylidenepentalen-6-ol, decahydro-9-[(4-methylphenyl)sulfonyl]-, acetate, (1.alpha.,2.alpha.,3a.beta.,4.alph a.,6.alpha.,6a.beta.,7R*,9S*)-
CAS Registry Number 130797-43-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O4S
InChI InChI=1S/C20H24O4S/c1-10-3-5-12(6-4-10)25(22,23)18-9-14-13-8-17(24-11(2)21)19-15(13)7-16(14)20(18)19/h3-6,13-20H,7-9H2,1-2H3/t13-,14-,15+,16+,17-,18?,19+,20-/m1/s1
InChIKey LDPAZDDSVNHDOC-IEGMPAOWSA-N
Molecular Weight 360.468 g/mol
SMILES C1(S(c2ccc(cc2)C)(=O)=O)[C@@]2([C@]3([C@@]4([C@@]([C@@](C1)([C@@]2(C4)[H])[H])(C[C@]3(OC(=O)C)[H])[H])[H])[H])[H]
SPLASH splash10-03dj-0900000000-183d867d48545e3a4b64
Source of Spectrum J-56-280-4
Synonyms 11-[(4-methylphenyl)sulfonyl]tetracyclo[6.3.0.0(2,6).0(5,9)]undec-3-yl acetate exo-11-(p-tolylsulfonyl)tetracyclo[6.3.0.0(2,6).0(5,9)]undec-endo-3-ol
Wiley ID 1348308