| SpectraBase Compound ID | DJVJyZtsoO5 |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-46-40(65)37(62)34(59)28(72-46)22-69-43-38(63)35(60)32(57)26(19-54)70-43)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)73-44-41(66)42(25(56)21-68-44)74-45-39(64)36(61)33(58)27(20-55)71-45/h8,24-46,54-66H,9-22H2,1-7H3/t24?,25-,26+,27+,28+,29?,30?,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | NRFOWDSXBYULIX-KHVXYEPSSA-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 | B3A1d5V2V7c |
|---|---|
| Name | ARALIASAPONIN-II;28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-OLEANOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRA |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C53H86O22 |
| InChI | InChI=1S/C53H86O22/c1-48(2)14-16-53(47(67)75-46-40(65)37(62)34(59)28(72-46)22-69-43-38(63)35(60)32(57)26(19-54)70-43)17-15-51(6)23(24(53)18-48)8-9-30-50(5)12-11-31(49(3,4)29(50)10-13-52(30,51)7)73-44-41(66)42(25(56)21-68-44)74-45-39(64)36(61)33(58)27(20-55)71-45/h8,24-46,54-66H,9-22H2,1-7H3/t24?,25-,26+,27+,28+,29?,30?,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,46-,50-,51+,52+,53-/m0/s1 |
| InChIKey | NRFOWDSXBYULIX-KHVXYEPSSA-N |
| Literature Reference Author | T.MIYASE,K.I.SHIOKAWA,D.M.ZHANG,A.UENO |
| Literature Reference Citation | PHYTOCHEM.,41,1411(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00788-1 |
| Molecular Weight | 1075.253 g/mol |
| Solvent | Unknown |
| Source File Reference | UWLU4425 |