| SpectraBase Compound ID | 8U8g1Kp92e9 |
|---|---|
| InChI | InChI=1S/C29H40O11/c1-27-9-17(31)19(39-26-25(36)24(35)23(34)20(11-30)40-26)8-14(27)3-4-16-22(27)18(32)10-28(2)15(5-6-29(16,28)37)13-7-21(33)38-12-13/h5,7,14,16-17,19-20,22-26,30-31,34-37H,3-4,6,8-12H2,1-2H3/t14-,16-,17-,19-,20+,22-,23+,24-,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | QDDIDMPSBNGKFQ-VLNMQRSUSA-N |
| Mol Weight | 564.6 g/mol |
| Molecular Formula | C29H40O11 |
| Exact Mass | 564.257062 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IMkDJrz32sA |
|---|---|
| Name | AFFINOSIDE-S-IV,(2-ALPHA-OH,3-BETA-O-GLUCOSID,5-BETA-H) |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H40O11 |
| InChI | InChI=1S/C29H40O11/c1-27-9-17(31)19(39-26-25(36)24(35)23(34)20(11-30)40-26)8-14(27)3-4-16-22(27)18(32)10-28(2)15(5-6-29(16,28)37)13-7-21(33)38-12-13/h5,7,14,16-17,19-20,22-26,30-31,34-37H,3-4,6,8-12H2,1-2H3/t14-,16-,17-,19-,20+,22-,23+,24-,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | QDDIDMPSBNGKFQ-VLNMQRSUSA-N |
| Literature Reference Author | F.ABE,T.YAMAUCHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,31,1199(1983) |
| Literature Reference DOI | 10.1248/cpb.31.1199 |
| Molecular Weight | 564.630 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UNIW8484 |