| SpectraBase Compound ID | G9XWskU6Zji |
|---|---|
| InChI | InChI=1S/C34H52O6/c1-21(35)39-20-31(6)25-11-14-33(8)26(30(25,5)13-12-27(31)40-22(2)36)10-9-23-24-19-29(3,4)15-17-34(24,28(37)38)18-16-32(23,33)7/h9,24-27H,10-20H2,1-8H3,(H,37,38)/t24?,25?,26?,27-,30?,31?,32?,33?,34?/m1/s1 |
| InChIKey | ALRXJQODPMIUEI-OFSONJNMSA-N |
| Mol Weight | 556.8 g/mol |
| Molecular Formula | C34H52O6 |
| Exact Mass | 556.376389 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HBsUtv2UuPv |
|---|---|
| Name | 3-alpha,24-Diacetoxy-olean-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 | 556.376389388 u |
| Formula | C34H52O6 |
| InChI | InChI=1S/C34H52O6/c1-21(35)39-20-31(6)25-11-14-33(8)26(30(25,5)13-12-27(31)40-22(2)36)10-9-23-24-19-29(3,4)15-17-34(24,28(37)38)18-16-32(23,33)7/h9,24-27H,10-20H2,1-8H3,(H,37,38)/t24?,25?,26?,27-,30?,31?,32?,33?,34?/m1/s1 |
| InChIKey | ALRXJQODPMIUEI-OFSONJNMSA-N |
| Molecular Weight | 556.784 g/mol |
| SMILES | C(=O)(C12CCC3(C4(CCC5C([C@@](CCC5(C4CC=C3C1CC(CC2)(C)C)C)(OC(=O)C)[H])(C)COC(=O)C)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959175 |