| SpectraBase Compound ID | 5sxApdgK432 |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h13,15-19,21-22,24,28H,5-12,14H2,1-4H3/t15?,16?,17?,18?,19?,21?,22?,24?,25-,26+,27-/m0/s1 |
| InChIKey | YLZUMNXGXFXZNQ-PAIDFOHOSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I1UKT9w45uL |
|---|---|
| Name | 9-Dehydrohecogenin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h13,15-19,21-22,24,28H,5-12,14H2,1-4H3/t15?,16?,17?,18?,19?,21?,22?,24?,25-,26+,27-/m0/s1 |
| InChIKey | YLZUMNXGXFXZNQ-PAIDFOHOSA-N |
| Molecular Weight | 428.613 g/mol |
| SMILES | OC1CC[C@@]2(C3=CC([C@]4(C(C3CCC2C1)CC1C4C([C@@]2(OCC(CC2)C)O1)C)C)=O)C |
| SPLASH | splash10-01p9-0954100000-2846af59da89f414756c |
| Source of Spectrum | CD-506-0-0 |
| Wiley ID | 1380830 |