| SpectraBase Compound ID | 7xUF4m0wGsi |
|---|---|
| InChI | InChI=1S/C32H50O6/c1-27(25(35)37-6)14-16-32(26(36)38-7)17-15-30(4)20(21(32)18-27)8-9-23-28(2)12-11-24(34)29(3,19-33)22(28)10-13-31(23,30)5/h8,21-24,33-34H,9-19H2,1-7H3/t21-,22+,23+,24+,27-,28-,29+,30+,31+,32-/m0/s1 |
| InChIKey | APEKDJQWKQLDPJ-VMJROMAUSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C32H50O6 |
| Exact Mass | 530.360739 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Gqq6hBwDKjs |
|---|---|
| Name | 3-alpha,24-Dihydroxy-olean-12-en-28,30-dioic-acid-dimethylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 530.360739324 u |
| Formula | C32H50O6 |
| InChI | InChI=1S/C32H50O6/c1-27(25(35)37-6)14-16-32(26(36)38-7)17-15-30(4)20(21(32)18-27)8-9-23-28(2)12-11-24(34)29(3,19-33)22(28)10-13-31(23,30)5/h8,21-24,33-34H,9-19H2,1-7H3/t21-,22+,23+,24+,27-,28-,29+,30+,31+,32-/m0/s1 |
| InChIKey | APEKDJQWKQLDPJ-VMJROMAUSA-N |
| Molecular Weight | 530.746 g/mol |
| SMILES | C(=O)([C@]12[C@](C=3[C@]([C@]4([C@@]([C@]5(CC[C@]([C@@]([C@@]5(CC4)[H])(CO)C)(O)[H])C)(CC3)[H])C)(CC1)C)(C[C@](C(=O)OC)(C)CC2)[H])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846521 |