| SpectraBase Compound ID | 8XFY8aujz38 |
|---|---|
| InChI | InChI=1S/C30H46O4/c1-25(2)12-14-30-15-13-29(7)21(22(30)23(25)34-24(30)33)17(31)16-19-27(5)10-9-20(32)26(3,4)18(27)8-11-28(19,29)6/h18-23,32H,8-16H2,1-7H3/t18-,19+,20-,21-,22+,23+,27-,28+,29+,30-/m0/s1 |
| InChIKey | SCCTYGDZBVYNDP-QYEHROKOSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C30H46O4 |
| Exact Mass | 470.33961 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 | 7QFSp5nrSMk |
|---|---|
| Name | 3-beta-Hydroxy-12-oxo-13-H-alpha-olean-28,19-beta-olide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 470.339609957 u |
| Formula | C30H46O4 |
| InChI | InChI=1S/C30H46O4/c1-25(2)12-14-30-15-13-29(7)21(22(30)23(25)34-24(30)33)17(31)16-19-27(5)10-9-20(32)26(3,4)18(27)8-11-28(19,29)6/h18-23,32H,8-16H2,1-7H3/t18-,19+,20-,21-,22+,23+,27-,28+,29+,30-/m0/s1 |
| InChIKey | SCCTYGDZBVYNDP-QYEHROKOSA-N |
| Molecular Weight | 470.694 g/mol |
| SMILES | [C@@]1(O)(CC[C@]2([C@](C1(C)C)(CC[C@]1(C)[C@@]2(CC(=O)[C@@]2([C@@]1(C)CC[C@]13[C@]2([C@@](OC3=O)(C(CC1)(C)C)[H])[H])[H])[H])[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947202 |