| SpectraBase Compound ID | 9cORRTzTSdd |
|---|---|
| InChI | InChI=1S/C37H68O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h28-36,38-40H,3-27H2,1-2H3/t28?,29?,30?,31-,32+,33+,34+,35+,36+/m0/s1 |
| InChIKey | OPCHTBZFOMVDTA-RUAMIDOGSA-N |
| Mol Weight | 624.9 g/mol |
| Molecular Formula | C37H68O7 |
| Exact Mass | 624.496505 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BjAjBaK7LLR |
|---|---|
| Name | Laherradurine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H68O7 |
| InChI | InChI=1S/C37H68O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30(38)27-29-26-28(2)42-37(29)41/h28-36,38-40H,3-27H2,1-2H3/t28?,29?,30?,31-,32+,33+,34+,35+,36+/m0/s1 |
| InChIKey | OPCHTBZFOMVDTA-RUAMIDOGSA-N |
| Molecular Weight | 624.944 g/mol |
| SMILES | OC(CCCCCCCCCC[C@]([C@@]1(O[C@@]([C@@]2(O[C@@]([C@@](O)(CCCCCCCCCC)[H])(CC2)[H])[H])(CC1)[H])[H])(O)[H])CC1C(OC(C)C1)=O |
| SPLASH | splash10-01ot-0059100000-e23bfacf60fcbe4adcbd |
| Source of Spectrum | X2-53-247-15 |
| Wiley ID | 1603376 |