| SpectraBase Compound ID | Ei0bWC8Qumg |
|---|---|
| InChI | InChI=1S/C32H36O11/c1-15(2)9-22(33)42-27-17(5)32(13-41-32)31(43-23(34)10-16(3)4)19-12-20(36-6)28(37-7)26(35)24(19)25-18(27)11-21-29(30(25)38-8)40-14-39-21/h9-12,17,27,31,35H,13-14H2,1-8H3/t17-,27+,31+,32+/m0/s1 |
| InChIKey | ABWZZHIMTHJBTA-DGEBVJJWSA-N |
| Mol Weight | 596.6 g/mol |
| Molecular Formula | C32H36O11 |
| Exact Mass | 596.225762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2SHsVuRb1Zp |
|---|---|
| Name | Kadsuphilol C |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 596.225761968 u |
| Formula | C32H36O11 |
| InChI | InChI=1S/C32H36O11/c1-15(2)9-22(33)42-27-17(5)32(13-41-32)31(43-23(34)10-16(3)4)19-12-20(36-6)28(37-7)26(35)24(19)25-18(27)11-21-29(30(25)38-8)40-14-39-21/h9-12,17,27,31,35H,13-14H2,1-8H3/t17-,27+,31+,32+/m0/s1 |
| InChIKey | ABWZZHIMTHJBTA-DGEBVJJWSA-N |
| Molecular Weight | 596.629 g/mol |
| SMILES | [C@]12([C@@](C3=C(C(=C(OC)C(=C3)OC)O)C3=C([C@@]([C@@]1(C)[H])(OC(C=C(C)C)=O)[H])C=C1C(OCO1)=C3OC)(OC(C=C(C)C)=O)[H])OC2 |