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rac-(13R)-11.alpha.-benzenesulfonyl-8,13-epoxy-13,14-seco-16,17-dinor-pimarane
SpectraBase Compound ID IuoqEKYgnZ
InChI InChI=1S/C24H36O3S/c1-16-14-20(28(25,26)18-10-7-6-8-11-18)22-17(2)19(27-16)15-21-23(3,4)12-9-13-24(21,22)5/h6-8,10-11,16-17,19-22H,9,12-15H2,1-5H3/t16-,17-,19?,20-,21+,22-,24+/m1/s1
InChIKey YCBXDJXDMHLYOB-MCEPSOSYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C24H36O3S
Exact Mass 404.238516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dcht4rKOXBV
Name rac-(13R)-11.alpha.-benzenesulfonyl-8,13-epoxy-13,14-seco-16,17-dinor-pimarane
CAS Registry Number 123123-50-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O3S
InChI InChI=1S/C24H36O3S/c1-16-14-20(28(25,26)18-10-7-6-8-11-18)22-17(2)19(27-16)15-21-23(3,4)12-9-13-24(21,22)5/h6-8,10-11,16-17,19-22H,9,12-15H2,1-5H3/t16-,17-,19?,20-,21+,22-,24+/m1/s1
InChIKey YCBXDJXDMHLYOB-MCEPSOSYSA-N
Molecular Weight 404.609 g/mol
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@@]2([C@@]3([C@@](C(C)(C)CCC3)([H])CC([C@]2(C)[H])O[C@@](C1)(C)[H])C)[H])[H]
SPLASH splash10-0002-0090000000-2c933a4245df4d293a52
Source of Spectrum F-44-6335-30
Synonyms (1S,2S,7S,11R,13R,14S)-2,6,6,11,14-pentamethyl-10-oxatricyclo[7.4.1.0(2,7)]tetradec-13-yl phenyl sulfone (1S,2S,7S,11R,13R,14S)-2,6,6,11,14-pentamethyl-13-(phenylsulfonyl)-10-oxatricyclo[7.4.1.0(2,7)]tetradecane
Wiley ID 1371425