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(4b.alpha.,7a.beta.,11b.alpha.,15b.beta.)-5,6,7,7a,11b,15b-Hexahydro-4bH-dibenzo[2',3':4',5']pentaleno[1',6'-jk]fluroren-6-yl para-toluenesulfonate
SpectraBase Compound ID 5O0sRSfCxMG
InChI InChI=1S/C33H28O3S/c1-20-14-16-22(17-15-20)37(34,35)36-21-18-29-23-8-2-4-10-25(23)31-27-12-6-7-13-28(27)32-26-11-5-3-9-24(26)30(19-21)33(29,31)32/h2-17,21,29-32H,18-19H2,1H3/t21-,29-,30+,31-,32-,33+/m1/s1
InChIKey MUWBDDCUFSDHON-QLTRYEOXSA-N
Mol Weight 504.6 g/mol
Molecular Formula C33H28O3S
Exact Mass 504.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1BPbdua1T5W
Name (4b.alpha.,7a.beta.,11b.alpha.,15b.beta.)-5,6,7,7a,11b,15b-Hexahydro-4bH-dibenzo[2',3':4',5']pentaleno[1',6'-jk]fluroren-6-yl para-toluenesulfonate
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Formula C33H28O3S
InChI InChI=1S/C33H28O3S/c1-20-14-16-22(17-15-20)37(34,35)36-21-18-29-23-8-2-4-10-25(23)31-27-12-6-7-13-28(27)32-26-11-5-3-9-24(26)30(19-21)33(29,31)32/h2-17,21,29-32H,18-19H2,1H3/t21-,29-,30+,31-,32-,33+/m1/s1
InChIKey MUWBDDCUFSDHON-QLTRYEOXSA-N
Molecular Weight 504.644 g/mol
SMILES [C@]123[C@]4(c5ccccc5[C@]3(c3ccccc3[C@@]1(C[C@](OS(c1ccc(cc1)C)(=O)=O)(C[C@@]2(c1ccccc41)[H])[H])[H])[H])[H]
SPLASH splash10-001i-2029000000-55a62bcc52d5a9acfd33
Source of Spectrum QE-7-3397-17
Synonyms (4bR,7aS,11bR,15bR)-5,6,7,7a,11b,15b-hexahydro-4bH-dibenzo[2,3:4,5]pentaleno[1,6-jk]fluoren-6-yl 4-methylbenzenesulfonate
Wiley ID 845703