| SpectraBase Compound ID | ALNf7P1HBAo |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-31(2)12-14-36(30(43)44)15-13-34(6)18(19(36)16-31)8-9-22-33(5)17-20(37)27(32(3,4)21(33)10-11-35(22,34)7)46-29-25(40)23(38)24(39)26(45-29)28(41)42/h8,19-27,29,37-40H,9-17H2,1-7H3,(H,41,42)(H,43,44)/t19-,20-,21-,22+,23-,24-,25+,26-,27-,29-,33-,34+,35+,36-/m0/s1 |
| InChIKey | NERHQGKEBFWBNZ-JFXLBYTDSA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C36H56O10 |
| Exact Mass | 648.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3IFBKt7XZcV |
|---|---|
| Name | CARYOCAROSIDE_IV-5;3-O-BETA-D-GLUCURONOPYRANOSYL-2-BETA-HYDROXYOLEANOLIC_ACID |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-31(2)12-14-36(30(43)44)15-13-34(6)18(19(36)16-31)8-9-22-33(5)17-20(37)27(32(3,4)21(33)10-11-35(22,34)7)46-29-25(40)23(38)24(39)26(45-29)28(41)42/h8,19-27,29,37-40H,9-17H2,1-7H3,(H,41,42)(H,43,44)/t19-,20-,21-,22+,23-,24-,25+,26-,27-,29-,33-,34+,35+,36-/m0/s1 |
| InChIKey | NERHQGKEBFWBNZ-JFXLBYTDSA-N |
| Literature Reference Author | A.A.MAGID,L.VOUTQUENNE,C.MORETTI,C.LONG,C.LAVAUD |
| Literature Reference Citation | J.NAT.PROD.,69,196(2006) |
| Literature Reference DOI | 10.1021/np050336s |
| Molecular Weight | 648.835 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ18500 |