| SpectraBase Compound ID | ZvSC7mKgsk |
|---|---|
| InChI | InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3 |
| InChIKey | GDFVLFBHNREYBP-UHFFFAOYSA-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 | EkmmjDTdkb7 |
|---|---|
| Name | Saponin - aglycone |
| CAS Registry Number | 16750-37-1 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H44O5 |
| InChI | InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3 |
| InChIKey | GDFVLFBHNREYBP-UHFFFAOYSA-N |
| Molecular Weight | 448.644 g/mol |
| SMILES | OC1C2(OC3C(C4(C(C5C(C6(C(CC(CC6)O)C(C5)O)C)CC4)C3)C)C2C)OCC(C1)C |
| SPLASH | splash10-06r2-9635100000-73d9ee469dcaf114d576 |
| Source of Spectrum | T-67-4739-0 |
| Synonyms | Spirostan-3,6,23-triol, (3.beta.,5.alpha.,6.alpha.,23S,25S)- Spirostan-3,6,23-triol 5.alpha.-Spirostan-3.beta.,6.alpha.,23-triol, (23S,25S)- Paniculogenin Spiro[8H-naphth[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyran], spirostan-3,6,23-triol deriv. |
| Wiley ID | 60609 |