| SpectraBase Compound ID | 9vkxwO3Jfb8 |
|---|---|
| InChI | InChI=1S/C30H50O2/c1-25(2)15-16-27(5)12-9-19-29(7,22(27)18-25)13-10-20-28(6)14-11-23(31)26(3,4)21(28)17-24(32)30(19,20)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1 |
| InChIKey | UIKAKYHZRGLONT-ZOUCRMHASA-N |
| Mol Weight | 442.7 g/mol |
| Molecular Formula | C30H50O2 |
| Exact Mass | 442.381081 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KMKdjvCrr4u |
|---|---|
| Name | D-Friedoolean-14-ene-3-beta,7-alpha-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.381080848 u |
| Formula | C30H50O2 |
| InChI | InChI=1S/C30H50O2/c1-25(2)15-16-27(5)12-9-19-29(7,22(27)18-25)13-10-20-28(6)14-11-23(31)26(3,4)21(28)17-24(32)30(19,20)8/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21+,22-,23+,24-,27+,28-,29-,30+/m1/s1 |
| InChIKey | UIKAKYHZRGLONT-ZOUCRMHASA-N |
| Molecular Weight | 442.728 g/mol |
| SMILES | [C@@]1(O)([C@]2(C=3[C@]([C@@]4(CC(C)(C)CC[C@@]4(CC3)C)[H])(CC[C@@]2([C@]2(CC[C@@](C([C@@]2(C1)[H])(C)C)(O)[H])C)[H])C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904614 |