| SpectraBase Compound ID | 2jIezC0FLEo |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h9,18-19,21-25,31-32H,10-17H2,1-8H3/t19-,21-,22+,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey | AZRLXPLRYMPSOI-VNSWCFOKSA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5U7UPDDRuLz |
|---|---|
| Name | 3-alpha,16-beta-Dihydroxylup-12-ene |
| 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/c1-18(2)19-11-14-28(6)24(32)17-30(8)20(25(19)28)9-10-22-27(5)15-13-23(31)26(3,4)21(27)12-16-29(22,30)7/h9,18-19,21-25,31-32H,10-17H2,1-8H3/t19-,21-,22+,23+,24-,25+,27-,28+,29+,30+/m0/s1 |
| InChIKey | AZRLXPLRYMPSOI-VNSWCFOKSA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | [C@]1(O)(CC[C@]2([C@](C1(C)C)(CC[C@]1(C)[C@@]2(CC=C2[C@@]1(C)C[C@](O)([C@@]1([C@@]2([C@@](CC1)(C(C)C)[H])[H])C)[H])[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939621 |