| SpectraBase Compound ID | HR9nVocjACl |
|---|---|
| InChI | InChI=1S/C23H36O16/c1-23(33)3-8(25)11-7(19(32)34-2)5-35-20(12(11)23)39-22-18(31)16(29)14(27)10(38-22)6-36-21-17(30)15(28)13(26)9(4-24)37-21/h5,8-18,20-22,24-31,33H,3-4,6H2,1-2H3/t8-,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,20+,21+,22-,23+/m1/s1 |
| InChIKey | FFKQCCZXUVIIPM-NLVBMYSVSA-N |
| Mol Weight | 568.5 g/mol |
| Molecular Formula | C23H36O16 |
| Exact Mass | 568.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5CliSpTCaw6 |
|---|---|
| Name | SHANZHISIN_METHYLESTER_GENTIOBIOSIDE |
| Compound Number | 242 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H36O16 |
| InChI | InChI=1S/C23H36O16/c1-23(33)3-8(25)11-7(19(32)34-2)5-35-20(12(11)23)39-22-18(31)16(29)14(27)10(38-22)6-36-21-17(30)15(28)13(26)9(4-24)37-21/h5,8-18,20-22,24-31,33H,3-4,6H2,1-2H3/t8-,9+,10+,11+,12-,13+,14+,15-,16-,17+,18+,20+,21+,22-,23+/m1/s1 |
| InChIKey | FFKQCCZXUVIIPM-NLVBMYSVSA-N |
| Literature Reference Author | C.A.BOROS,F.R.STERMITZ |
| Literature Reference Citation | J.NAT.PROD.,53,1055(1990) |
| Literature Reference DOI | 10.1021/np50071a001 |
| Molecular Weight | 568.529 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ16213 |