| SpectraBase Compound ID | Kr1KdfLBLVw |
|---|---|
| InChI | InChI=1S/C61H90O23/c1-29(63)37-18-21-61(72)59(37,7)44(80-45(67)15-14-34-12-10-9-11-13-34)27-43-58(6)19-17-36(22-35(58)16-20-60(43,61)71)78-46-23-38(64)53(30(2)74-46)81-47-24-39(65)54(31(3)75-47)82-48-25-40(66)55(32(4)76-48)83-49-26-41(73-8)56(33(5)77-49)84-57-52(70)51(69)50(68)42(28-62)79-57/h9-16,30-33,36-44,46-57,62,64-66,68-72H,17-28H2,1-8H3/b15-14+/t30-,31-,32-,33-,36-,37-,38+,39+,40+,41-,42+,43+,44+,46+,47+,48+,49+,50+,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61+/m0/s1 |
| InChIKey | IIAOIXPMDHMNFP-DHBXPHGESA-N |
| Mol Weight | 1191.4 g/mol |
| Molecular Formula | C61H90O23 |
| Exact Mass | 1190.587289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GTjHxkm5w8T |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)- |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C61H90O23 |
| InChI | InChI=1S/C61H90O23/c1-29(63)37-18-21-61(72)59(37,7)44(80-45(67)15-14-34-12-10-9-11-13-34)27-43-58(6)19-17-36(22-35(58)16-20-60(43,61)71)78-46-23-38(64)53(30(2)74-46)81-47-24-39(65)54(31(3)75-47)82-48-25-40(66)55(32(4)76-48)83-49-26-41(73-8)56(33(5)77-49)84-57-52(70)51(69)50(68)42(28-62)79-57/h9-16,30-33,36-44,46-57,62,64-66,68-72H,17-28H2,1-8H3/b15-14+/t30-,31-,32-,33-,36-,37-,38+,39+,40+,41-,42+,43+,44+,46+,47+,48+,49+,50+,51-,52+,53-,54-,55-,56-,57-,58-,59-,60-,61+/m0/s1 |
| InChIKey | IIAOIXPMDHMNFP-DHBXPHGESA-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 | 1191.372 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5021 |