| SpectraBase Compound ID | LnjoHHL5ynO |
|---|---|
| InChI | InChI=1S/C33H50O8/c1-17-12-29(40-21(5)36)33(37-16-17)18(2)30-28(41-33)15-25-23-14-27(39-20(4)35)26-13-22(38-19(3)34)8-10-31(26,6)24(23)9-11-32(25,30)7/h17-18,22-30H,8-16H2,1-7H3/t17?,18-,22+,23?,24?,25?,26?,27-,28?,29+,30?,31-,32+,33?/m1/s1 |
| InChIKey | WANHQRZXVMDVFF-HOJBCDRKSA-N |
| Mol Weight | 574.8 g/mol |
| Molecular Formula | C33H50O8 |
| Exact Mass | 574.350569 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FcNhGluquY3 |
|---|---|
| Name | Paniculogenin - triacetyl derivative |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H50O8 |
| InChI | InChI=1S/C33H50O8/c1-17-12-29(40-21(5)36)33(37-16-17)18(2)30-28(41-33)15-25-23-14-27(39-20(4)35)26-13-22(38-19(3)34)8-10-31(26,6)24(23)9-11-32(25,30)7/h17-18,22-30H,8-16H2,1-7H3/t17?,18-,22+,23?,24?,25?,26?,27-,28?,29+,30?,31-,32+,33?/m1/s1 |
| InChIKey | WANHQRZXVMDVFF-HOJBCDRKSA-N |
| Molecular Weight | 574.755 g/mol |
| SMILES | C12(OC3CC4[C@@](C3[C@]2(C)[H])(CCC2[C@@]3(C(C[C@@](OC(=O)C)(CC3)[H])[C@@](CC42)(OC(=O)C)[H])C)C)[C@@](OC(=O)C)(CC(CO1)C)[H] |
| SPLASH | splash10-004i-6915200000-c57b1976e9ad5043fd0d |
| Source of Spectrum | F-28-1881-0 |
| Wiley ID | 855368 |