| SpectraBase Compound ID | AgdeIwPZWka |
|---|---|
| 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-ZHEQMOBZSA-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 | BRKIvXe7TpN |
|---|---|
| Name | SAMMANGAOSIDE-C;MELITTOSIDE-3''-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 10 |
| 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-ZHEQMOBZSA-N |
| Literature Reference Author | T.KANCHANAPOOM,R.KASAI,P.CHUMSRI,Y.HIRAGA,K.YAMASAKI |
| Literature Reference Citation | PHYTOCHEM.,58,333(2001) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00208-4 |
| Molecular Weight | 686.618 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU2810 |