| SpectraBase Compound ID | 2F3CcvgbQJ9 |
|---|---|
| InChI | InChI=1S/C27H42O20/c28-4-8-3-12(32)27(1-2-41-23(13(8)27)46-25-20(39)18(37)15(34)10(6-30)43-25)47-26-21(40)22(16(35)11(7-31)44-26)45-24-19(38)17(36)14(33)9(5-29)42-24/h1-3,9-26,28-40H,4-7H2/t9-,10+,11-,12-,13+,14-,15+,16-,17+,18-,19-,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1 |
| InChIKey | MZZDDHFFWNQNSE-HLLOGUMNSA-N |
| Mol Weight | 686.6 g/mol |
| Molecular Formula | C27H42O20 |
| Exact Mass | 686.226944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVP151cf2pp |
|---|---|
| Name | MELITTOSIDE-3''-O-BETA-GLUCOPYRANOSIDE;SAMMANGAOSIDE-C |
| Compound Number | 42 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O20 |
| InChI | InChI=1S/C27H42O20/c28-4-8-3-12(32)27(1-2-41-23(13(8)27)46-25-20(39)18(37)15(34)10(6-30)43-25)47-26-21(40)22(16(35)11(7-31)44-26)45-24-19(38)17(36)14(33)9(5-29)42-24/h1-3,9-26,28-40H,4-7H2/t9-,10+,11-,12-,13+,14-,15+,16-,17+,18-,19-,20+,21-,22+,23+,24+,25-,26+,27-/m1/s1 |
| InChIKey | MZZDDHFFWNQNSE-HLLOGUMNSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 686.618 g/mol |
| Sample ID | 37842 |
| Solvent | CD3OD |