| SpectraBase Compound ID | 5YY27bYUxfb |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3 |
| InChIKey | YOQAQNKGFOLRGT-UHFFFAOYSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 62MhLFuryz1 |
|---|---|
| Name | Soyasapogenol B |
| CAS Registry Number | 595-15-3 |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3 |
| InChIKey | YOQAQNKGFOLRGT-UHFFFAOYSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | OC1C2(C(C=3C(C4(C(C5(C(C(CO)(C(CC5)O)C)CC4)C)CC3)C)(CC2)C)CC(C1)(C)C)C |
| SPLASH | splash10-0159-9560000000-0b87599bb31a2c5204a7 |
| Source of Spectrum | CD-461-0-0 |
| Synonyms | 4,6a,6b,8a,11,11,14b-heptamethyl-4-methylol-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol 4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-3,9-diol |
| Wiley ID | 1390047 |