| SpectraBase Compound ID | CVom3Vsd5Y8 |
|---|---|
| InChI | InChI=1S/C39H70O7/c1-4-5-6-7-8-9-14-17-20-23-26-35(42)36-27-28-37(46-36)38(45-32(3)40)30-34(41)25-22-19-16-13-11-10-12-15-18-21-24-33-29-31(2)44-39(33)43/h29,31,34-38,41-42H,4-28,30H2,1-3H3/t31-,34+,35-,36+,37+,38+/m1/s1 |
| InChIKey | FPQIHOHGIGXPEO-UQYZVXSCSA-N |
| Mol Weight | 651.0 g/mol |
| Molecular Formula | C39H70O7 |
| Exact Mass | 650.512155 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dkq9gQEWrCY |
|---|---|
| Name | CALAMISTRIN-B |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H70O7 |
| InChI | InChI=1S/C39H70O7/c1-4-5-6-7-8-9-14-17-20-23-26-35(42)36-27-28-37(46-36)38(45-32(3)40)30-34(41)25-22-19-16-13-11-10-12-15-18-21-24-33-29-31(2)44-39(33)43/h29,31,34-38,41-42H,4-28,30H2,1-3H3/t31-,34+,35-,36+,37+,38+/m1/s1 |
| InChIKey | FPQIHOHGIGXPEO-UQYZVXSCSA-N |
| Literature Reference Author | G.X.ZHOU,L.E.ZHOU,R.Y.CHEN,D.Q.YU |
| Literature Reference Citation | J.NAT.PROD.,62,261(1999) |
| Literature Reference DOI | 10.1021/np980334q |
| Molecular Weight | 650.981 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWGE1312 |