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19-[(p-Tolylsulfonyl)oxy]-2,3-epoxy-abieta-8,11,13-triene
SpectraBase Compound ID KPyXZLMGNCP
InChI InChI=1S/C27H34O4S/c1-17(2)19-8-12-22-20(14-19)9-13-24-26(22,4)15-23-25(31-23)27(24,5)16-30-32(28,29)21-10-6-18(3)7-11-21/h6-8,10-12,14,17,23-25H,9,13,15-16H2,1-5H3/t23?,24-,25?,26-,27-/m1/s1
InChIKey XDEDMBPCWXLHKF-PNVCOISFSA-N
Mol Weight 454.6 g/mol
Molecular Formula C27H34O4S
Exact Mass 454.217781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9KiJ6aqtBIb
Name 19-[(p-Tolylsulfonyl)oxy]-2,3-epoxy-abieta-8,11,13-triene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34O4S
InChI InChI=1S/C27H34O4S/c1-17(2)19-8-12-22-20(14-19)9-13-24-26(22,4)15-23-25(31-23)27(24,5)16-30-32(28,29)21-10-6-18(3)7-11-21/h6-8,10-12,14,17,23-25H,9,13,15-16H2,1-5H3/t23?,24-,25?,26-,27-/m1/s1
InChIKey XDEDMBPCWXLHKF-PNVCOISFSA-N
Molecular Weight 454.625 g/mol
SMILES C12OC2C[C@@]2(c3c(cc(cc3)C(C)C)CC[C@]2([C@]1(COS(c1ccc(cc1)C)(=O)=O)C)[H])C
SPLASH splash10-004i-0190100000-c2860f1420c231f81df2
Source of Spectrum X2-56-1467-30
Synonyms [(6aR,7S,9aS)-3-isopropyl-7,9a-dimethyl-5,6,6a,7,7a,8a,9,9a-octahydrophenanthro[2,3-b]oxiren-7-yl]methyl 4-methylbenzenesulfonate
Wiley ID 1605054