| SpectraBase Compound ID | IiIrJyOQ6I5 |
|---|---|
| InChI | InChI=1S/C38H57NO9/c1-9-39-20-35(21-42-4)16-14-26(44-6)38-25-18-36(41)27(45-7)19-37(47-17-15-22(2)3,29(32(38)39)30(46-8)31(35)38)28(25)33(36)48-34(40)23-10-12-24(43-5)13-11-23/h10-13,22,25-33,41H,9,14-21H2,1-8H3/t25-,26+,27+,28-,29+,30+,31-,32-,33-,35-,36+,37-,38+/m1/s1 |
| InChIKey | KSWNEFZTMLFBOK-CECPHEGASA-N |
| Mol Weight | 671.9 g/mol |
| Molecular Formula | C38H57NO9 |
| Exact Mass | 671.403332 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hmq4L0PmZdp |
|---|---|
| Name | 8-DEACETOXY-8-O-ISOPENTOXY-CRASSICAULINE-A |
| Compound Number | 10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H57NO9 |
| InChI | InChI=1S/C38H57NO9/c1-9-39-20-35(21-42-4)16-14-26(44-6)38-25-18-36(41)27(45-7)19-37(47-17-15-22(2)3,29(32(38)39)30(46-8)31(35)38)28(25)33(36)48-34(40)23-10-12-24(43-5)13-11-23/h10-13,22,25-33,41H,9,14-21H2,1-8H3/t25-,26+,27+,28-,29+,30+,31-,32-,33-,35-,36+,37-,38+/m1/s1 |
| InChIKey | KSWNEFZTMLFBOK-CECPHEGASA-N |
| Literature Reference Author | J.L.WANG,X.L.SHEN,Q.H.CHEN,G.QI,W.WANG,G.QI,W.WANG,F.P.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,801(2009) |
| Literature Reference DOI | 10.1248/cpb.57.801 |
| Molecular Weight | 671.872 g/mol |
| Sample ID | 2817 |
| Solvent | CDCl3 |