| SpectraBase Compound ID | J9z3Ulx0Xnw |
|---|---|
| InChI | InChI=1S/C32H42O9/c1-8-16(2)28(36)40-26-23-24(35)31(6,19(29(26,3)4)13-21(33)37-7)18-9-11-30(5)20(32(18)27(23)41-32)14-22(34)39-25(30)17-10-12-38-15-17/h10,12,15-16,18-20,23,25-27H,8-9,11,13-14H2,1-7H3/t16-,18?,19+,20?,23+,25+,26-,27-,30-,31-,32?/m1/s1 |
| InChIKey | JFCFHKVHDISZHG-IRENXUDZSA-N |
| Mol Weight | 570.7 g/mol |
| Molecular Formula | C32H42O9 |
| Exact Mass | 570.282883 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L0QuKxgzEt2 |
|---|---|
| Name | 2'R-Cipadesin A |
| Appearance | White, amorphous solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H42O9 |
| InChI | InChI=1S/C32H42O9/c1-8-16(2)28(36)40-26-23-24(35)31(6,19(29(26,3)4)13-21(33)37-7)18-9-11-30(5)20(32(18)27(23)41-32)14-22(34)39-25(30)17-10-12-38-15-17/h10,12,15-16,18-20,23,25-27H,8-9,11,13-14H2,1-7H3/t16-,18?,19+,20?,23+,25+,26-,27-,30-,31-,32?/m1/s1 |
| InChIKey | JFCFHKVHDISZHG-IRENXUDZSA-N |
| Instrument Name | Finnigan MAT 95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np070229t |
| Molecular Weight | 570.679 g/mol |
| Optical Rotation | [a]D20 = -145 (c = 0.08, MeOH) |
| Reported Formula | C32H42O9 |
| SMILES | C1C2[C@@]3([C@@](CC(OC)=O)(C(C)(C)[C@](OC([C@@](CC)(C)[H])=O)([C@@]([C@@]4(C2(C2CC(=O)O[C@@](c5cocc5)([C@]2(C)C1)[H])O4)[H])(C3=O)[H])[H])[H])C |
| SPLASH | splash10-00di-4093130000-280abe942aec710f6283 |
| Source of Spectrum | G4-70-1347-4 |
| Wiley ID | 1874627 |