| SpectraBase Compound ID | 9wgi4iIg2RH |
|---|---|
| InChI | InChI=1S/C38H74O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(31-44-38-37(43)36(42)35(41)34(30-39)45-38)29-33(40)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,33-43H,3-28,30-31H2,1-2H3/b32-29+/t33-,34-,35-,36+,37-,38-/m0/s1 |
| InChIKey | RYXAMRKDUZLGND-XBADOBIXSA-N |
| Mol Weight | 643.0 g/mol |
| Molecular Formula | C38H74O7 |
| Exact Mass | 642.543455 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3YStxitzugg |
|---|---|
| Name | ISOCLATHROSIDE_A |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H74O7 |
| InChI | InChI=1S/C38H74O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(31-44-38-37(43)36(42)35(41)34(30-39)45-38)29-33(40)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29,33-43H,3-28,30-31H2,1-2H3/b32-29+/t33-,34-,35-,36+,37-,38-/m0/s1 |
| InChIKey | RYXAMRKDUZLGND-XBADOBIXSA-N |
| Literature Reference Author | V.COSTANTINO,E.FATTORUSSO,C.IMPERATORE,A.MANGONI |
| Literature Reference Citation | J.NAT.PROD.,69,73(2006) |
| Literature Reference DOI | 10.1021/np050331v |
| Molecular Weight | 643.001 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWMZ16468 |