| SpectraBase Compound ID | 2EgPvGHOvgx |
|---|---|
| InChI | InChI=1S/C29H48O2/c1-24(2)14-16-29(31)17-15-27(6)19(20(29)18-24)8-9-22-26(5)12-11-23(30)25(3,4)21(26)10-13-28(22,27)7/h8,20-23,30-31H,9-18H2,1-7H3/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1 |
| InChIKey | GYCWITAVSTXNTP-VSQYQUPVSA-N |
| Mol Weight | 428.7 g/mol |
| Molecular Formula | C29H48O2 |
| Exact Mass | 428.365431 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 | 8srJT51aTre |
|---|---|
| Name | 3-beta,17-beta-Dihydroxy-28-nor-olean-12-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 428.365430784 u |
| Formula | C29H48O2 |
| InChI | InChI=1S/C29H48O2/c1-24(2)14-16-29(31)17-15-27(6)19(20(29)18-24)8-9-22-26(5)12-11-23(30)25(3,4)21(26)10-13-28(22,27)7/h8,20-23,30-31H,9-18H2,1-7H3/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1 |
| InChIKey | GYCWITAVSTXNTP-VSQYQUPVSA-N |
| Molecular Weight | 428.701 g/mol |
| SMILES | [C@@]1(O)(CC[C@]2([C@](C1(C)C)(CC[C@@]1([C@@]2(CC=C2[C@]1(CC[C@]1(O)[C@]2(CC(CC1)(C)C)[H])C)[H])C)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.908445 |