| SpectraBase Compound ID | 6veA14p78Ec |
|---|---|
| InChI | InChI=1S/C36H58O6/c1-21(37)40-25-20-34(9)26(32(6,7)30(25)42-23(3)39)15-17-36(11)28(34)13-12-27-33(8)19-18-31(4,5)29(41-22(2)38)24(33)14-16-35(27,36)10/h24-30H,12-20H2,1-11H3/t24?,25?,26?,27?,28-,29?,30?,33+,34-,35-,36-/m0/s1 |
| InChIKey | ZNECCNSCNFGMRJ-ZMCYXEDHSA-N |
| Mol Weight | 586.9 g/mol |
| Molecular Formula | C36H58O6 |
| Exact Mass | 586.42334 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5EqcsN6YNf2 |
|---|---|
| Name | 2-alpha,3-beta,22-alpha-Triacetoxystictane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 586.423339582 u |
| Formula | C36H58O6 |
| InChI | InChI=1S/C36H58O6/c1-21(37)40-25-20-34(9)26(32(6,7)30(25)42-23(3)39)15-17-36(11)28(34)13-12-27-33(8)19-18-31(4,5)29(41-22(2)38)24(33)14-16-35(27,36)10/h24-30H,12-20H2,1-11H3/t24?,25?,26?,27?,28-,29?,30?,33+,34-,35-,36-/m0/s1 |
| InChIKey | ZNECCNSCNFGMRJ-ZMCYXEDHSA-N |
| Molecular Weight | 586.854 g/mol |
| SMILES | C1(OC(=O)C)C2CC[C@@]3([C@]4(CCC5C(C(C(C[C@@]5([C@@]4(CCC3[C@@]2(CCC1(C)C)C)[H])C)OC(=O)C)OC(=O)C)(C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969251 |