| SpectraBase Compound ID | HOVPmMLhROr |
|---|---|
| InChI | InChI=1S/C30H48O3/c1-17(2)18-15-24(32)29(7)19(18)16-25(33)30(8)22(29)10-9-21-27(5)13-12-23(31)26(3,4)20(27)11-14-28(21,30)6/h17-23,31H,9-16H2,1-8H3/t18-,19+,20-,21+,22-,23+,27-,28+,29-,30-/m0/s1 |
| InChIKey | PGHZPXAIUDLCLR-ZQLPATBASA-N |
| Mol Weight | 456.7 g/mol |
| Molecular Formula | C30H48O3 |
| Exact Mass | 456.360345 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 | KIYhz184Ck6 |
|---|---|
| Name | 3-alpha-Hydroxy-13-alpha,17-alpha,21-beta-hopan-15,19-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 456.360345403 u |
| Formula | C30H48O3 |
| InChI | InChI=1S/C30H48O3/c1-17(2)18-15-24(32)29(7)19(18)16-25(33)30(8)22(29)10-9-21-27(5)13-12-23(31)26(3,4)20(27)11-14-28(21,30)6/h17-23,31H,9-16H2,1-8H3/t18-,19+,20-,21+,22-,23+,27-,28+,29-,30-/m0/s1 |
| InChIKey | PGHZPXAIUDLCLR-ZQLPATBASA-N |
| Molecular Weight | 456.711 g/mol |
| SMILES | [C@]1(O)(CC[C@]2([C@](C1(C)C)(CC[C@@]1([C@@]2(CC[C@@]2([C@]1(C(=O)C[C@]1([C@@]2(C(=O)C[C@]1(C(C)C)[H])C)[H])C)[H])[H])C)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962411 |