| SpectraBase Compound ID | 9JuvKWdCZJG |
|---|---|
| InChI | InChI=1S/C63H94O23/c1-31(65)39-20-23-63(72)61(39,7)46(82-47(67)17-16-36-14-12-11-13-15-36)29-45-60(6)21-19-38(24-37(60)18-22-62(45,63)71)80-49-26-41(73-8)57(33(3)77-49)85-51-27-42(74-9)56(34(4)78-51)84-48-25-40(66)55(32(2)76-48)83-50-28-43(75-10)58(35(5)79-50)86-59-54(70)53(69)52(68)44(30-64)81-59/h11-18,32-35,38-46,48-59,64,66,68-72H,19-30H2,1-10H3/b17-16+/t32-,33+,34-,35-,38-,39-,40+,41-,42-,43-,44+,45+,46+,48+,49-,50+,51+,52+,53-,54+,55-,56-,57+,58-,59-,60-,61-,62-,63+/m0/s1 |
| InChIKey | DPAYTQIJDAFEAB-IQUIRJSESA-N |
| Mol Weight | 1219.4 g/mol |
| Molecular Formula | C63H94O23 |
| Exact Mass | 1218.618589 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KsyTLRZ6Jh2 |
|---|---|
| Name | IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4) |
| Compound Number | 32 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C63H94O23 |
| InChI | InChI=1S/C63H94O23/c1-31(65)39-20-23-63(72)61(39,7)46(82-47(67)17-16-36-14-12-11-13-15-36)29-45-60(6)21-19-38(24-37(60)18-22-62(45,63)71)80-49-26-41(73-8)57(33(3)77-49)85-51-27-42(74-9)56(34(4)78-51)84-48-25-40(66)55(32(2)76-48)83-50-28-43(75-10)58(35(5)79-50)86-59-54(70)53(69)52(68)44(30-64)81-59/h11-18,32-35,38-46,48-59,64,66,68-72H,19-30H2,1-10H3/b17-16+/t32-,33+,34-,35-,38-,39-,40+,41-,42-,43-,44+,45+,46+,48+,49-,50+,51+,52+,53-,54+,55-,56-,57+,58-,59-,60-,61-,62-,63+/m0/s1 |
| InChIKey | DPAYTQIJDAFEAB-IQUIRJSESA-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 | 1219.426 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU5046 |