| SpectraBase Compound ID | 2DsZdsXih9n |
|---|---|
| InChI | InChI=1S/C61H92O23/c1-29(63)37-18-21-61(70)59(37,7)44(80-56(68)34-14-12-11-13-15-34)27-43-58(6)19-17-36(22-35(58)16-20-60(43,61)69)78-46-24-39(71-8)54(31(3)75-46)83-48-25-40(72-9)53(32(4)76-48)82-45-23-38(64)52(30(2)74-45)81-47-26-41(73-10)55(33(5)77-47)84-57-51(67)50(66)49(65)42(28-62)79-57/h11-16,30-33,36-55,57,62,64-67,69-70H,17-28H2,1-10H3/t30-,31+,32-,33-,36-,37+,38+,39-,40+,41-,42+,43+,44+,45+,46-,47+,48+,49+,50-,51+,52-,53-,54+,55-,57-,58-,59-,60-,61+/m0/s1 |
| InChIKey | MLQXEKOKXITIAB-XKTYDXQZSA-N |
| Mol Weight | 1193.4 g/mol |
| Molecular Formula | C61H92O23 |
| Exact Mass | 1192.602939 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HayhoKEkEX5 |
|---|---|
| Name | 12-O-BENZOYLISOLINEOLON-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-CYMAROPYRAN |
| Compound Number | 19 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H92O23 |
| InChI | InChI=1S/C61H92O23/c1-29(63)37-18-21-61(70)59(37,7)44(80-56(68)34-14-12-11-13-15-34)27-43-58(6)19-17-36(22-35(58)16-20-60(43,61)69)78-46-24-39(71-8)54(31(3)75-46)83-48-25-40(72-9)53(32(4)76-48)82-45-23-38(64)52(30(2)74-45)81-47-26-41(73-10)55(33(5)77-47)84-57-51(67)50(66)49(65)42(28-62)79-57/h11-16,30-33,36-55,57,62,64-67,69-70H,17-28H2,1-10H3/t30-,31+,32-,33-,36-,37+,38+,39-,40+,41-,42+,43+,44+,45+,46-,47+,48+,49+,50-,51+,52-,53-,54+,55-,57-,58-,59-,60-,61+/m0/s1 |
| InChIKey | MLQXEKOKXITIAB-XKTYDXQZSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,516(2000) |
| Literature Reference DOI | 10.1248/cpb.48.516 |
| Molecular Weight | 1193.388 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5034 |