| SpectraBase Compound ID | 3fJr25Q4Zjv |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20?,21?,22?,23-,24+,27+,28-,29+,30+/m0/s1 |
| InChIKey | ZEGUWBQDYDXBNS-CVPOBCMLSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Dbj9bYUSAFm |
|---|---|
| Name | Olean-12-en-3.beta.,22.beta.-diol (Sophoradiol) |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20?,21?,22?,23-,24+,27+,28-,29+,30+/m0/s1 |
| InChIKey | ZEGUWBQDYDXBNS-CVPOBCMLSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | O[C@@]1(CC(CC2C=3[C@]([C@@]4(CCC5C([C@](CC[C@@]5(C4CC3)C)(O)[H])(C)C)C)(CC[C@@]12C)C)(C)C)[H] |
| SPLASH | splash10-001i-0090400000-e3dc7484af4a90cc5356 |
| Source of Spectrum | E2-48-1687-31 |
| Wiley ID | 1555453 |