| SpectraBase Compound ID | 4jjqfOJIJW7 |
|---|---|
| InChI | InChI=1S/C21H36O10/c1-10(2)5-16(24)29-9-13-12(6-15(23)21(13,4)28)11(3)8-30-20-19(27)18(26)17(25)14(7-22)31-20/h10,12-15,17-20,22-23,25-28H,3,5-9H2,1-2,4H3/t12-,13+,14+,15+,17+,18-,19+,20+,21+/m1/s1 |
| InChIKey | FXNXGISWKWCXRW-QLPIMFLXSA-N |
| Mol Weight | 448.5 g/mol |
| Molecular Formula | C21H36O10 |
| Exact Mass | 448.230847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E8GaHq2PQYh |
|---|---|
| Name | PATRINOVALEROSIDATE;1-O-ISOVALEROXYL-11-O-BETA-D-GLUCOPYRANOSYL-JATAMANIN-J |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H36O10 |
| InChI | InChI=1S/C21H36O10/c1-10(2)5-16(24)29-9-13-12(6-15(23)21(13,4)28)11(3)8-30-20-19(27)18(26)17(25)14(7-22)31-20/h10,12-15,17-20,22-23,25-28H,3,5-9H2,1-2,4H3/t12-,13+,14+,15+,17+,18-,19+,20+,21+/m1/s1 |
| InChIKey | FXNXGISWKWCXRW-QLPIMFLXSA-N |
| Literature Reference Author | J.Y.LEE,J.S.KIM,Y.S.KIM,S.S.KANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,61,971(2013) |
| Literature Reference DOI | 10.1248/cpb.c13-00306 |
| Molecular Weight | 448.511 g/mol |
| Source File Reference | UWIR4139 |