| SpectraBase Compound ID | 6htLABJCamo |
|---|---|
| InChI | InChI=1S/C36H42O9/c1-8-14(2)30(39)44-13-35(42)22-11-21(22)33(5)23(35)12-19-15(3)32(41)45-36(19)24(33)10-18-17-9-20(17)34(6)26(18)27(36)25(28(37)29(34)38)16(4)31(40)43-7/h8,17,20-24,27,29,38,42H,9-13H2,1-7H3/b14-8+,25-16-/t17-,20-,21-,22+,23-,24+,27+,29+,33+,34+,35+,36+/m1/s1 |
| InChIKey | TUNYYJHZXJEAHU-AGBNGXIVSA-N |
| Mol Weight | 618.7 g/mol |
| Molecular Formula | C36H42O9 |
| Exact Mass | 618.282883 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ENyqGqg28YF |
|---|---|
| Name | Sarcandrolide A |
| Appearance | Colorless solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H42O9 |
| InChI | InChI=1S/C36H42O9/c1-8-14(2)30(39)44-13-35(42)22-11-21(22)33(5)23(35)12-19-15(3)32(41)45-36(19)24(33)10-18-17-9-20(17)34(6)26(18)27(36)25(28(37)29(34)38)16(4)31(40)43-7/h8,17,20-24,27,29,38,42H,9-13H2,1-7H3/b14-8+,25-16-/t17-,20-,21-,22+,23-,24+,27+,29+,33+,34+,35+,36+/m1/s1 |
| InChIKey | TUNYYJHZXJEAHU-AGBNGXIVSA-N |
| Instrument Name | Finnigan MAT-95 |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/np9006469 |
| Molecular Weight | 618.723 g/mol |
| Optical Rotation | [a]D20 = -120 (c = 0.1, MeOH) |
| Reported Formula | C36H42O9 |
| SMILES | O[C@]1([C@@]2([C@]([C@]3([C@]1(CC=1[C@@]4([C@]3(CC=3[C@@]5([C@]([C@@]6([C@](C(\C([C@]4(C36)[H])=C/(C)C(OC)=O)=O)(O)[H])C)(C5)[H])[H])[H])OC(C1C)=O)[H])C)(C2)[H])[H])COC(=O)\C(=C\C)C |
| SPLASH | splash10-0059-7190000000-744184d438c210017ae2 |
| Source of Spectrum | G4-73-49-3 |
| Wiley ID | 1846391 |