| SpectraBase Compound ID | 9SfHE32ppva |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-19(18-24(35-20(2)33)27-29(5,6)36-27)21-12-16-32(9)23-10-11-25-28(3,4)26(34)14-15-30(25,7)22(23)13-17-31(21,32)8/h10,19,21-22,24-25,27H,11-18H2,1-9H3/t19?,21-,22?,24+,25?,27-,30?,31-,32?/m0/s1 |
| InChIKey | KFPACOJXQVOAQP-XMYHZOQGSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C32H50O4 |
| Exact Mass | 498.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I4WL49H6Iwt |
|---|---|
| Name | 23-Acetoxyniloticin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H50O4 |
| InChI | InChI=1S/C32H50O4/c1-19(18-24(35-20(2)33)27-29(5,6)36-27)21-12-16-32(9)23-10-11-25-28(3,4)26(34)14-15-30(25,7)22(23)13-17-31(21,32)8/h10,19,21-22,24-25,27H,11-18H2,1-9H3/t19?,21-,22?,24+,25?,27-,30?,31-,32?/m0/s1 |
| InChIKey | KFPACOJXQVOAQP-XMYHZOQGSA-N |
| Molecular Weight | 498.748 g/mol |
| SMILES | [C@@]1(OC1(C)C)([C@@](CC([C@]1([C@]2(C(C3=CCC4C(C3CC2)(CCC(=O)C4(C)C)C)(C)CC1)C)[H])C)(OC(=O)C)[H])[H] |
| SPLASH | splash10-00sj-0002900000-0597cebf0ab16f5ef26f |
| Source of Spectrum | E1-38-1619-4 |
| Wiley ID | 1518386 |