| SpectraBase Compound ID | 67OVJm59GiY |
|---|---|
| InChI | InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3/t21?,23?,24?,25-,28+,29-,30+,31+/m0/s1 |
| InChIKey | YZBNXQLCEJJXSC-VUIUBEOUSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C31H52O |
| Exact Mass | 440.401816 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 | BRyMPe6677q |
|---|---|
| Name | (3S,6ar,6br,8ar,14Br)-3-methoxy-4,4,6A,6B,8A,11,11,14B-octamethyl-1,2,3,4,4A,5,6,6A,6B,7,8,8A,9,10,11,12B,13,14,14A,14B-icosahydropicene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.401816293 u |
| Formula | C31H52O |
| InChI | InChI=1S/C31H52O/c1-26(2)16-17-28(5)18-19-30(7)21(22(28)20-26)10-11-24-29(6)14-13-25(32-9)27(3,4)23(29)12-15-31(24,30)8/h20-21,23-25H,10-19H2,1-9H3/t21?,23?,24?,25-,28+,29-,30+,31+/m0/s1 |
| InChIKey | YZBNXQLCEJJXSC-VUIUBEOUSA-N |
| Molecular Weight | 440.756 g/mol |
| SMILES | C1[C@@](C(C2[C@](C1)(C1[C@@](CC2)([C@]2(C(CC1)C=1[C@@](CC2)(CCC(C1)(C)C)C)C)C)C)(C)C)(OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89671 |