| SpectraBase Compound ID | 4AuemKejJ8G |
|---|---|
| InChI | InChI=1S/C46H62O27/c1-4-17-18(21(39(60)63-3)14-65-42(17)72-45-37(58)34(55)31(52)26(12-48)70-45)8-9-64-40(61)22-15-66-43(73-46-38(59)35(56)32(53)27(13-49)71-46)28-16(2)24(10-20(22)28)67-41(62)19-6-5-7-23(29(19)50)68-44-36(57)33(54)30(51)25(11-47)69-44/h4-7,14-18,20,24-28,30-38,42-59H,1,8-13H2,2-3H3/t16-,17+,18-,20+,24-,25-,26-,27-,28+,30-,31-,32-,33+,34+,35+,36-,37-,38-,42-,43-,44-,45+,46+/m0/s1 |
| InChIKey | ZZEMLPUURHSGBP-YWUGNSMJSA-N |
| Mol Weight | 1047.0 g/mol |
| Molecular Formula | C46H62O27 |
| Exact Mass | 1046.347847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LphUcYiYkXC |
|---|---|
| Name | 3''-GLUCOPYRANOSYL-DEPRESTEROSIDE;7-[7-(3-BETA-GLUCOPYRANOSYLOXY-2-HYDORXY-BENZOYL)-LOGANOYL]-SECOLOGANOL |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H62O27 |
| InChI | InChI=1S/C46H62O27/c1-4-17-18(21(39(60)63-3)14-65-42(17)72-45-37(58)34(55)31(52)26(12-48)70-45)8-9-64-40(61)22-15-66-43(73-46-38(59)35(56)32(53)27(13-49)71-46)28-16(2)24(10-20(22)28)67-41(62)19-6-5-7-23(29(19)50)68-44-36(57)33(54)30(51)25(11-47)69-44/h4-7,14-18,20,24-28,30-38,42-59H,1,8-13H2,2-3H3/t16-,17+,18-,20+,24-,25-,26-,27-,28+,30-,31-,32-,33+,34+,35+,36-,37-,38-,42-,43-,44-,45+,46+/m0/s1 |
| InChIKey | ZZEMLPUURHSGBP-YWUGNSMJSA-N |
| Literature Reference Author | A.J.CHULIA,J.VERCAUTEREN,A.M.MARIOTTE |
| Literature Reference Citation | PHYTOCHEM.,42,139(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00900-0 |
| Molecular Weight | 1046.982 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU3227 |