| SpectraBase Compound ID | G3jaYa9HdNS |
|---|---|
| InChI | InChI=1S/C31H48O12/c1-15-10-30-8-5-19-28(2,20(30)9-17(33)16(15)11-30)6-4-7-29(19,3)27(38)43-25-23(36)22(35)21(34)18(42-25)12-40-26-24(37)31(39,13-32)14-41-26/h16-26,32-37,39H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20+,21+,22-,23+,24-,25-,26+,28-,29-,30-,31+/m1/s1 |
| InChIKey | PKBUZKXTOSRKKX-OFEHVZGWSA-N |
| Mol Weight | 612.7 g/mol |
| Molecular Formula | C31H48O12 |
| Exact Mass | 612.314577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AjE79a1wOrU |
|---|---|
| Name | CUSSORACOSIDE-B |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O12 |
| InChI | InChI=1S/C31H48O12/c1-15-10-30-8-5-19-28(2,20(30)9-17(33)16(15)11-30)6-4-7-29(19,3)27(38)43-25-23(36)22(35)21(34)18(42-25)12-40-26-24(37)31(39,13-32)14-41-26/h16-26,32-37,39H,1,4-14H2,2-3H3/t16-,17-,18+,19+,20+,21+,22-,23+,24-,25-,26+,28-,29-,30-,31+/m1/s1 |
| InChIKey | PKBUZKXTOSRKKX-OFEHVZGWSA-N |
| Literature Reference Author | L.R.R.HARINANTENAINA,R.KASAI,K.YAMASAKI |
| Literature Reference Citation | CHEM.PHARM.BULL.,50,268(2002) |
| Literature Reference DOI | 10.1248/cpb.50.268 |
| Molecular Weight | 612.715 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWVN7896 |