SpectraBase Compound ID | IgKToxaN90K |
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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 |
SpectraBase Spectrum ID | 8M59VcMHEar |
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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 |