| SpectraBase Compound ID | 1Fn3L3GzUUx |
|---|---|
| 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)56(33(3)77-49)84-48-25-40(66)55(32(2)76-48)83-50-27-42(74-9)57(34(4)78-50)85-51-28-43(75-10)58(35(5)79-51)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 | WYMAMSGXOQZCRJ-PREVXPSZSA-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 | HxlsGI1CpvE |
|---|---|
| Name | #22;SYRIACOSIDE-Q;IKEMAGENIN-3-O-BETA-D-GLUCOPYRANOSYL-(1->4)-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-D-CYMAROPYRANOSYL-(1->4)-BETA-D-DIGITOXOPYRANOSIDE-BE |
| 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)56(33(3)77-49)84-48-25-40(66)55(32(2)76-48)83-50-27-42(74-9)57(34(4)78-50)85-51-28-43(75-10)58(35(5)79-51)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 | WYMAMSGXOQZCRJ-PREVXPSZSA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,177(2009) |
| Literature Reference DOI | 10.1248/cpb.57.177 |
| Molecular Weight | 1219.426 g/mol |
| Sample ID | 2254 |
| Solvent | C5D5N |