| SpectraBase Compound ID | KXKe7lwIaJx |
|---|---|
| InChI | InChI=1S/C25H38O13/c1-4-13(2)22(31)34-11-25(32)12-35-24(21(25)30)38-20-19(29)18(28)17(10-27)37-23(20)36-15-6-5-14(7-8-26)9-16(15)33-3/h5-6,9,13,17-21,23-24,26-30,32H,4,7-8,10-12H2,1-3H3/t13-,17-,18-,19+,20-,21+,23-,24+,25-/m1/s1 |
| InChIKey | PSQDLUHLEIWGCS-PZVKWUSTSA-N |
| Mol Weight | 546.6 g/mol |
| Molecular Formula | C25H38O13 |
| Exact Mass | 546.231241 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JmT5AddzAfM |
|---|---|
| Name | CUCURBITOSIDE_J;4-(2-HYDROXYETHYL)-2-METHOXYPHENYL_5-O-(2-S-2-METHYLBUTYRYL)-BETA-D-APIOFURANOSYL-(1->2)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H38O13 |
| InChI | InChI=1S/C25H38O13/c1-4-13(2)22(31)34-11-25(32)12-35-24(21(25)30)38-20-19(29)18(28)17(10-27)37-23(20)36-15-6-5-14(7-8-26)9-16(15)33-3/h5-6,9,13,17-21,23-24,26-30,32H,4,7-8,10-12H2,1-3H3/t13-,17-,18-,19+,20-,21+,23-,24+,25-/m1/s1 |
| InChIKey | PSQDLUHLEIWGCS-PZVKWUSTSA-N |
| Literature Reference Author | W.LI,K.KOIKE,M.TATSUZAKI,A.KOIDE,T.NIKAIDO |
| Literature Reference Citation | J.NAT.PROD.,68,1754(2005) |
| Literature Reference DOI | 10.1021/np050328b |
| Molecular Weight | 546.569 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ12307 |