| SpectraBase Compound ID | 7VtAWLrpA63 |
|---|---|
| InChI | InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26+,27-,28-,29-,30+/m1/s1 |
| InChIKey | YLHQFGOOMKJFLP-LTFXOGOQSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C30H48O5 |
| Exact Mass | 488.350175 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H487KMFsSCr |
|---|---|
| Name | 3-beta,19-alpha-23-Trihydroxy-urs-12-en-28-oic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 488.350174641 u |
| Formula | C30H48O5 |
| InChI | InChI=1S/C30H48O5/c1-18-9-14-30(24(33)34)16-15-27(4)19(23(30)29(18,6)35)7-8-21-25(2)12-11-22(32)26(3,17-31)20(25)10-13-28(21,27)5/h7,18,20-23,31-32,35H,8-17H2,1-6H3,(H,33,34)/t18-,20-,21-,22+,23-,25+,26+,27-,28-,29-,30+/m1/s1 |
| InChIKey | YLHQFGOOMKJFLP-LTFXOGOQSA-N |
| Molecular Weight | 488.709 g/mol |
| SMILES | C(O)[C@]1(C)[C@@](O)(CC[C@@]2(C)[C@]1(CC[C@]1(C)[C@@]2(CC=C2[C@@]1(C)CC[C@]1(C(=O)O)[C@]2([C@@](O)(C)[C@](C)(CC1)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.840546 |