SpectraBase Compound ID | KPTOu4LJA1b |
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InChI | InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16?,17?,19-,21?,22?,24+,25+,26+,27+/m0/s1 |
InChIKey | JNTQSSGVHLUIBL-OHWPCADBSA-N |
Mol Weight | 464.6 g/mol |
Molecular Formula | C27H44O6 |
Exact Mass | 464.313789 g/mol |
SpectraBase Spectrum ID | Jxmo4ZJU8 |
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Name | 2-Deoxy-.alpha.=ecdysterone |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C27H44O6 |
InChI | InChI=1S/C27H44O6/c1-23(2,31)10-9-22(30)26(5,32)21-8-13-27(33)18-15-20(29)19-14-16(28)6-11-24(19,3)17(18)7-12-25(21,27)4/h15-17,19,21-22,28,30-33H,6-14H2,1-5H3/t16?,17?,19-,21?,22?,24+,25+,26+,27+/m0/s1 |
InChIKey | JNTQSSGVHLUIBL-OHWPCADBSA-N |
Molecular Weight | 464.643 g/mol |
SMILES | OC(CCC([C@@](C1[C@@]2([C@](C=3C([C@]4(CCC(C[C@]4(C(C3)=O)[H])O)C)CC2)(CC1)O)C)(O)C)O)(C)C |
SPLASH | splash10-003s-6049100000-db4e2aa5c46f0ad5e8a6 |
Source of Spectrum | X4-15-703-0 |
Wiley ID | 1585296 |