![GLADIATOSIDE-B3;7-O-(2-O-ORTHO-ANISOYL)-ALPHA-L-RHAMNOPYRANOSYL-KAEMPFEROL-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-BE](/api/spectrum/6MT7JTzCXqX/structure.png?h=300&w=458 "GLADIATOSIDE-B3;7-O-(2-O-ORTHO-ANISOYL)-ALPHA-L-RHAMNOPYRANOSYL-KAEMPFEROL-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-BE")
| SpectraBase Compound ID | 1WgO23RrlmM |
|---|---|
| InChI | InChI=1S/C47H56O25/c1-16-28(50)33(55)37(59)44(64-16)63-15-26-31(53)36(58)42(72-45-38(60)34(56)29(51)17(2)65-45)47(69-26)71-40-32(54)27-23(49)13-21(14-25(27)68-39(40)19-9-11-20(48)12-10-19)67-46-41(35(57)30(52)18(3)66-46)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-31,33-38,41-42,44-53,55-60H,15H2,1-4H3/t16-,17-,18+,26+,28-,29-,30+,31-,33+,34+,35-,36-,37+,38+,41-,42+,44+,45-,46+,47-/m1/s1 |
| InChIKey | CJBYOKRHBBYDIV-AAFIIZCQSA-N |
| Mol Weight | 1020.9 g/mol |
| Molecular Formula | C47H56O25 |
| Exact Mass | 1020.311067 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6MT7JTzCXqX |
|---|---|
| Name | GLADIATOSIDE-B3;7-O-(2-O-ORTHO-ANISOYL)-ALPHA-L-RHAMNOPYRANOSYL-KAEMPFEROL-3-O-[ALPHA-L-RHAMNOPYRANOSYL-(1->2)]-[ALPHA-L-RHAMNOPYRANOSYL-(1->6)]-BE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C47H56O25 |
| InChI | InChI=1S/C47H56O25/c1-16-28(50)33(55)37(59)44(64-16)63-15-26-31(53)36(58)42(72-45-38(60)34(56)29(51)17(2)65-45)47(69-26)71-40-32(54)27-23(49)13-21(14-25(27)68-39(40)19-9-11-20(48)12-10-19)67-46-41(35(57)30(52)18(3)66-46)70-43(61)22-7-5-6-8-24(22)62-4/h5-14,16-18,26,28-31,33-38,41-42,44-53,55-60H,15H2,1-4H3/t16-,17-,18+,26+,28-,29-,30+,31-,33+,34+,35-,36-,37+,38+,41-,42+,44+,45-,46+,47-/m1/s1 |
| InChIKey | CJBYOKRHBBYDIV-AAFIIZCQSA-N |
| Literature Reference Author | T.MURAKAMI,K.KOHNO,A.KISHI,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1673(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1673 |
| Molecular Weight | 1020.947 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWVN4658 |