| SpectraBase Compound ID | 93evrWpNmPv |
|---|---|
| InChI | InChI=1S/C42H46O5/c1-27-8-5-9-28(2)16-34-24-41(47)35(25-40(34)46)21-37-20-31-12-6-10-29(3)17-33-23-38(44)32(22-39(33)45)14-13-30(4)18-36(19-31)42(37,26-43)15-7-11-27/h7,9-11,13,15,19,22-26,36-37H,5-6,8,12,14,16-18,20-21H2,1-4H3/b15-7+,27-11+,28-9-,29-10-,30-13+/t36-,37+,42-/m1/s1 |
| InChIKey | HAKKWIWVFYLQBA-CRGWPLLOSA-N |
| Mol Weight | 630.8 g/mol |
| Molecular Formula | C42H46O5 |
| Exact Mass | 630.334525 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5Ir2tb0KFpY |
|---|---|
| Name | Longithorone H |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 630.334524576 u |
| Formula | C42H46O5 |
| InChI | InChI=1S/C42H46O5/c1-27-8-5-9-28(2)16-34-24-41(47)35(25-40(34)46)21-37-20-31-12-6-10-29(3)17-33-23-38(44)32(22-39(33)45)14-13-30(4)18-36(19-31)42(37,26-43)15-7-11-27/h7,9-11,13,15,19,22-26,36-37H,5-6,8,12,14,16-18,20-21H2,1-4H3/b15-7+,27-11+,28-9-,29-10-,30-13+/t36-,37+,42-/m1/s1 |
| InChIKey | HAKKWIWVFYLQBA-CRGWPLLOSA-N |
| Molecular Weight | 630.825 g/mol |
| SMILES | [C@]12([C@]3(C=C(C[C@]2(CC2=CC(=O)C(=CC2=O)C\C(=C/CC\C(=C\C=C\1)C)C)[H])CC\C=C/(CC1=CC(C(C\C=C\(C3)C)=CC1=O)=O)C)[H])C=O |