| SpectraBase Compound ID | LgkGVExwqOv |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22-,23+,24-,25-,27+,28-,29+,30+/m0/s1 |
| InChIKey | ZNUAKACHFYTNFX-ZHWHNTLZSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5ICzJ9f2ypc |
|---|---|
| Name | (3-.beta.)-lup-20(29)-ene-3,30-Diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.381080848 u |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-19(18-31)20-10-13-27(4)16-17-29(6)21(25(20)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22-,23+,24-,25-,27+,28-,29+,30+/m0/s1 |
| InChIKey | ZNUAKACHFYTNFX-ZHWHNTLZSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | [C@]12([C@]3([C@]([C@]4(CC[C@@](C([C@@]4(CC3)[H])(C)C)(O)[H])C)([H])CC[C@]2([C@@]2([C@](C(=C)CO)(CC[C@@]2(CC1)C)[H])[H])[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907137 |