| SpectraBase Compound ID | BLmPOUkveGi |
|---|---|
| InChI | InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+/m0/s1 |
| InChIKey | GBNCDYGXXWZSAO-KTJZJERCSA-N |
| Mol Weight | 580.9 g/mol |
| Molecular Formula | C35H64O6 |
| Exact Mass | 580.47029 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3zvrexoevAl |
|---|---|
| Name | (10S)-Corossolin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 580.470289775 u |
| Formula | C35H64O6 |
| InChI | InChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-14-17-23-31(37)33-25-26-34(41-33)32(38)24-19-18-22-30(36)21-16-13-11-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30-,31+,32+,33+,34+/m0/s1 |
| InChIKey | GBNCDYGXXWZSAO-KTJZJERCSA-N |
| Molecular Weight | 580.891 g/mol |
| SMILES | C1(=O)C(CCCCCCC[C@](O)(CCCC[C@@](O)([C@]2(CC[C@@](O2)([C@](O)(CCCCCCCCCCCC)[H])[H])[H])[H])[H])=C[C@@](O1)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.839272 |