| SpectraBase Compound ID | Lv2HxgYrRRz |
|---|---|
| InChI | InChI=1S/C31H52O/c1-21(2)11-10-12-22(3)23-15-19-31(8)25-13-14-26-28(4,5)27(32-9)17-18-29(26,6)24(25)16-20-30(23,31)7/h11,16,22-23,25-27H,10,12-15,17-20H2,1-9H3/t22-,23-,25-,26?,27+,29-,30-,31+/m1/s1 |
| InChIKey | MRFOIBLCHSXCBV-XWXCDERCSA-N |
| Mol Weight | 440.8 g/mol |
| Molecular Formula | C31H52O |
| Exact Mass | 440.401816 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2re7NVeSCRP |
|---|---|
| Name | Lanosta-9(11),24-diene, 3-methoxy-, (3.beta.)- |
| 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/c1-21(2)11-10-12-22(3)23-15-19-31(8)25-13-14-26-28(4,5)27(32-9)17-18-29(26,6)24(25)16-20-30(23,31)7/h11,16,22-23,25-27H,10,12-15,17-20H2,1-9H3/t22-,23-,25-,26?,27+,29-,30-,31+/m1/s1 |
| InChIKey | MRFOIBLCHSXCBV-XWXCDERCSA-N |
| Molecular Weight | 440.756 g/mol |
| SMILES | C=12[C@@]3(C(C(C)(C)[C@](CC3)(OC)[H])CC[C@]2([C@@]2(CC[C@@]([C@]2(CC1)C)([C@@](CCC=C(C)C)(C)[H])[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943109 |