| SpectraBase Compound ID | 1By71qbjgps |
|---|---|
| InChI | InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,7)28(19,6)14-15-30(20,18-31)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | YXTURDGNXCWFHX-ZBSZBFADSA-N |
| Mol Weight | 458.7 g/mol |
| Molecular Formula | C30H50O3 |
| Exact Mass | 458.375995 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4WcklS5Y5d1 |
|---|---|
| Name | Olean-12-ene-3,22,28-triol, (3.beta.,22.alpha.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.375995467 u |
| Formula | C30H50O3 |
| InChI | InChI=1S/C30H50O3/c1-25(2)16-20-19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,7)28(19,6)14-15-30(20,18-31)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3/t20-,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1 |
| InChIKey | YXTURDGNXCWFHX-ZBSZBFADSA-N |
| Molecular Weight | 458.727 g/mol |
| SMILES | [C@]12(C([C@]3(CC(C)(C)C[C@@]([C@@]3(CC2)CO)(O)[H])[H])=CC[C@@]2([C@]3(CC[C@@](C(C3CC[C@@]12C)(C)C)(O)[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.857164 |