| SpectraBase Compound ID | 1TEyMkJ3iFe |
|---|---|
| InChI | InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21?,22?,23?,24?,25?,26?,29?,30-,31?,32+/m1/s1 |
| InChIKey | MYKPKZPRXSYQEQ-LFJNHPQFSA-N |
| Mol Weight | 502.8 g/mol |
| Molecular Formula | C32H54O4 |
| Exact Mass | 502.40221 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LZp1eNUFlmW |
|---|---|
| Name | 3-Epiocotillol - Monoacetyl Derivative |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H54O4 |
| InChI | InChI=1S/C32H54O4/c1-20(33)35-25-14-16-29(6)23(27(25,2)3)13-18-31(8)24(29)11-10-21-22(12-17-30(21,31)7)32(9)19-15-26(36-32)28(4,5)34/h21-26,34H,10-19H2,1-9H3/t21?,22?,23?,24?,25?,26?,29?,30-,31?,32+/m1/s1 |
| InChIKey | MYKPKZPRXSYQEQ-LFJNHPQFSA-N |
| Molecular Weight | 502.780 g/mol |
| SMILES | OC(C1O[C@](C2C3[C@](C4(C(C5(CCC(C(C5CC4)(C)C)OC(=O)C)C)CC3)C)(CC2)C)(CC1)C)(C)C |
| SPLASH | splash10-0006-1900100000-5719b02a927fdc27dd19 |
| Source of Spectrum | X4-16-371-0 |
| Wiley ID | 1585312 |