| SpectraBase Compound ID | IzoByo3F7gT |
|---|---|
| InChI | InChI=1S/C36H56O12/c1-17-9-12-36(30(45)48-28-25(41)24(40)23(39)20(16-37)47-28)14-13-32(3)18(26(36)35(17,6)46)7-8-21-31(2)15-19(38)27(42)34(5,29(43)44)22(31)10-11-33(21,32)4/h7,17,19-28,37-42,46H,8-16H2,1-6H3,(H,43,44)/t17-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28+,31-,32-,33-,34+,35-,36+/m1/s1 |
| InChIKey | YXSQSVWHKZZWDD-FPLSKCGGSA-N |
| Mol Weight | 680.8 g/mol |
| Molecular Formula | C36H56O12 |
| Exact Mass | 680.377177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FH5EhdX3RUg |
|---|---|
| Name | SUAVISSIMOSIDE-R1;2-ALPHA,3-BETA,19-ALPHA-TRIHYDROXY-URS-12-ENE-23-CARBOXYL-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | J |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O12 |
| InChI | InChI=1S/C36H56O12/c1-17-9-12-36(30(45)48-28-25(41)24(40)23(39)20(16-37)47-28)14-13-32(3)18(26(36)35(17,6)46)7-8-21-31(2)15-19(38)27(42)34(5,29(43)44)22(31)10-11-33(21,32)4/h7,17,19-28,37-42,46H,8-16H2,1-6H3,(H,43,44)/t17-,19-,20-,21-,22-,23-,24+,25-,26-,27+,28+,31-,32-,33-,34+,35-,36+/m1/s1 |
| InChIKey | YXSQSVWHKZZWDD-FPLSKCGGSA-N |
| Literature Reference Author | J.CHEN,X.WANG,Y.CAI,M.TANG,Q.DAI,X.HU,M.HUANG,F.SUN,Y.LIU,P. XIA |
| Literature Reference Citation | MOLECULES,18,11624(2013) |
| Literature Reference DOI | 10.3390/molecules180911624 |
| Molecular Weight | 680.833 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWIR9401 |