| SpectraBase Compound ID | CJQGg4fmh4k |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-15-23-21(32-27(15)10-9-24(2,30)14-31-27)13-20-18-6-5-16-11-17(28)12-22(29)26(16,4)19(18)7-8-25(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15?,16?,17?,18?,19?,20?,21?,22?,23?,24-,25?,26?,27-/m1/s1 |
| InChIKey | ZRIGWQMDPBPSHA-QWUHGXHLSA-N |
| Mol Weight | 448.6 g/mol |
| Molecular Formula | C27H44O5 |
| Exact Mass | 448.318875 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3HLzK56CIK |
|---|---|
| Name | Reineckiagenin |
| Alternate Name(s) | Spirostan-1,3,25-triol |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-15-23-21(32-27(15)10-9-24(2,30)14-31-27)13-20-18-6-5-16-11-17(28)12-22(29)26(16,4)19(18)7-8-25(20,23)3/h15-23,28-30H,5-14H2,1-4H3/t15?,16?,17?,18?,19?,20?,21?,22?,23?,24-,25?,26?,27-/m1/s1 |
| InChIKey | ZRIGWQMDPBPSHA-QWUHGXHLSA-N |
| Molecular Weight | 448.644 g/mol |
| SMILES | OC1CC2CCC3C(C2(C(C1)O)C)CCC1(C3CC2C1C([C@@]1(O2)OC[C@@](O)(C)CC1)C)C |
| SPLASH | splash10-0bt9-0933100000-8b252b3e46afb5b72bad |
| Source of Spectrum | D3-1980-223-10 |
| Wiley ID | 1387287 |