| SpectraBase Compound ID | EIwJLYoTMYb |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-22-10-15-53(48(67)75-47-41(65)37(61)35(59)28(72-47)20-69-44-42(66)38(62)43(27(18-54)71-44)74-46-40(64)36(60)33(57)24(3)70-46)17-16-51(6)25(32(53)23(22)2)8-9-30-49(4)13-12-31(73-45-39(63)34(58)26(56)19-68-45)50(5,21-55)29(49)11-14-52(30,51)7/h8,22-24,26-47,54-66H,9-21H2,1-7H3/t22-,23+,24-,26+,27-,28-,29-,30-,31+,32+,33-,34+,35-,36+,37+,38-,39-,40+,41-,42-,43-,44-,45+,46-,47+,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | FDSRWPZECMMOFD-IQPLOXDASA-N |
| Mol Weight | 1075.2 g/mol |
| Molecular Formula | C53H86O22 |
| Exact Mass | 1074.561074 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CZvbuoaYEcy |
|---|---|
| Name | #5;SCHEFFURSOSIDE-C;3-O-ALPHA-L-ARBINOPYRANOSYL-HEDERAGENIN-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIYLESTER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-22-10-15-53(48(67)75-47-41(65)37(61)35(59)28(72-47)20-69-44-42(66)38(62)43(27(18-54)71-44)74-46-40(64)36(60)33(57)24(3)70-46)17-16-51(6)25(32(53)23(22)2)8-9-30-49(4)13-12-31(73-45-39(63)34(58)26(56)19-68-45)50(5,21-55)29(49)11-14-52(30,51)7/h8,22-24,26-47,54-66H,9-21H2,1-7H3/t22-,23+,24-,26+,27-,28-,29-,30-,31+,32+,33-,34+,35-,36+,37+,38-,39-,40+,41-,42-,43-,44-,45+,46-,47+,49+,50+,51-,52-,53+/m1/s1 |
| InChIKey | FDSRWPZECMMOFD-IQPLOXDASA-N |
| Literature Reference Author | C.MAEDA,K.OHTANI,R.KASAI,K.YAMASSAKI,N.M.DUC,N.T.NHAM,N.K.Q. CU |
| Literature Reference Citation | PHYTOCHEM.,37,1131(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89543-6 |
| Molecular Weight | 1075.253 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU24038 |