| SpectraBase Compound ID | 2CppksaenUo |
|---|---|
| InChI | InChI=1S/C60H90O23/c1-28(62)36-17-20-60(70)58(36,7)43(79-55(68)33-13-11-10-12-14-33)26-42-57(6)18-16-35(21-34(57)15-19-59(42,60)69)77-46-24-39(71-8)53(31(4)75-46)82-45-23-38(64)51(29(2)74-45)80-44-22-37(63)52(30(3)73-44)81-47-25-40(72-9)54(32(5)76-47)83-56-50(67)49(66)48(65)41(27-61)78-56/h10-15,29-32,35-54,56,61,63-67,69-70H,16-27H2,1-9H3/t29-,30-,31+,32-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44+,45+,46-,47+,48+,49-,50+,51-,52-,53+,54-,56-,57-,58-,59-,60+/m0/s1 |
| InChIKey | OZFZMGJRLYCCAP-CCZTZKLHSA-N |
| Mol Weight | 1179.4 g/mol |
| Molecular Formula | C60H90O23 |
| Exact Mass | 1178.587289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jh6Zj0oHXY0 |
|---|---|
| Name | 12-O-BENZOYLISOLINEOLON-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYR |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H90O23 |
| InChI | InChI=1S/C60H90O23/c1-28(62)36-17-20-60(70)58(36,7)43(79-55(68)33-13-11-10-12-14-33)26-42-57(6)18-16-35(21-34(57)15-19-59(42,60)69)77-46-24-39(71-8)53(31(4)75-46)82-45-23-38(64)51(29(2)74-45)80-44-22-37(63)52(30(3)73-44)81-47-25-40(72-9)54(32(5)76-47)83-56-50(67)49(66)48(65)41(27-61)78-56/h10-15,29-32,35-54,56,61,63-67,69-70H,16-27H2,1-9H3/t29-,30-,31+,32-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44+,45+,46-,47+,48+,49-,50+,51-,52-,53+,54-,56-,57-,58-,59-,60+/m0/s1 |
| InChIKey | OZFZMGJRLYCCAP-CCZTZKLHSA-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 | 1179.361 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5028 |