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ent-17-Tosyloxykaurane
SpectraBase Compound ID IgKToxaN90K
InChI InChI=1S/C27H40O3S/c1-19-6-9-22(10-7-19)31(28,29)30-18-21-17-27-15-12-23-25(2,3)13-5-14-26(23,4)24(27)11-8-20(21)16-27/h6-7,9-10,20-21,23-24H,5,8,11-18H2,1-4H3/t20?,21?,23-,24+,26-,27?/m1/s1
InChIKey XPQRIUVEDHBCCX-DYWVUBAWSA-N
Mol Weight 444.7 g/mol
Molecular Formula C27H40O3S
Exact Mass 444.269816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8M59VcMHEar
Name ent-17-Tosyloxykaurane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H40O3S
InChI InChI=1S/C27H40O3S/c1-19-6-9-22(10-7-19)31(28,29)30-18-21-17-27-15-12-23-25(2,3)13-5-14-26(23,4)24(27)11-8-20(21)16-27/h6-7,9-10,20-21,23-24H,5,8,11-18H2,1-4H3/t20?,21?,23-,24+,26-,27?/m1/s1
InChIKey XPQRIUVEDHBCCX-DYWVUBAWSA-N
Molecular Weight 444.674 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C1CC23[C@@]([C@@]4(CCCC([C@]4(CC3)[H])(C)C)C)([H])CCC1C2
SPLASH splash10-0abc-0290300000-c25141542df51102b658
Source of Spectrum B-40-476-9
Synonyms (5beta,9beta,10alpha)-kauran-17-yl 4-methylbenzenesulfonate
Wiley ID 1386103