| SpectraBase Compound ID | ChhuDackkEm |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-25(2)17-18-27(5)19(24(25)32)11-15-29(7)21(27)9-10-22-28(6)14-13-23(31)26(3,4)20(28)12-16-30(22,29)8/h19-24,31-32H,9-18H2,1-8H3/t19?,20?,21?,22-,23?,24?,27+,28-,29-,30-/m0/s1 |
| InChIKey | BVNJYOLIMMUPIL-JFQXILOHSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JuiK9IFnZmZ |
|---|---|
| Name | Stictane-3-beta,22-alpha-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.396730912 u |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-25(2)17-18-27(5)19(24(25)32)11-15-29(7)21(27)9-10-22-28(6)14-13-23(31)26(3,4)20(28)12-16-30(22,29)8/h19-24,31-32H,9-18H2,1-8H3/t19?,20?,21?,22-,23?,24?,27+,28-,29-,30-/m0/s1 |
| InChIKey | BVNJYOLIMMUPIL-JFQXILOHSA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | C1(O)C2CC[C@@]3([C@]4(CCC5C(C(CC[C@@]5([C@@]4(CCC3[C@@]2(CCC1(C)C)C)[H])C)O)(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894251 |