| SpectraBase Compound ID | E14hPCbKXys |
|---|---|
| InChI | InChI=1S/C33H41NO9/c1-19(2)26(41-21(4)35)30(38)43-28-27(42-29(37)23-11-9-15-34-17-23)32(6)20(3)10-8-12-24(32)31(5,33(28,7)39)14-13-22-16-25(36)40-18-22/h9-11,13-17,19,24,26-28,39H,8,12,18H2,1-7H3/b14-13+/t24-,26?,27+,28-,31-,32+,33+/m1/s1 |
| InChIKey | QLQRVRCHRRIMMB-MKFPEXDZSA-N |
| Mol Weight | 595.7 g/mol |
| Molecular Formula | C33H41NO9 |
| Exact Mass | 595.278132 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3FcHLOF4I9I |
|---|---|
| Name | SCUTEBARBATINE-L |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H41NO9 |
| InChI | InChI=1S/C33H41NO9/c1-19(2)26(41-21(4)35)30(38)43-28-27(42-29(37)23-11-9-15-34-17-23)32(6)20(3)10-8-12-24(32)31(5,33(28,7)39)14-13-22-16-25(36)40-18-22/h9-11,13-17,19,24,26-28,39H,8,12,18H2,1-7H3/b14-13+/t24-,26?,27+,28-,31-,32+,33+/m1/s1 |
| InChIKey | QLQRVRCHRRIMMB-MKFPEXDZSA-N |
| Literature Reference Author | S.J.DAI,D.D.LIANG,Y.REN,K.LIU,L.SHEN |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,207(2008) |
| Literature Reference DOI | 10.1248/cpb.56.207 |
| Molecular Weight | 595.690 g/mol |
| Sample ID | 1281 |
| Solvent | CDCl3 |