| SpectraBase Compound ID | A0TYNip597T |
|---|---|
| InChI | InChI=1S/C53H86O22/c1-22-10-15-53(48(67)75-47-41(65)38(62)35(59)28(72-47)21-69-44-39(63)36(60)33(57)26(18-54)70-44)17-16-51(6)24(32(53)23(22)2)8-9-30-50(5)13-12-31(49(3,4)29(50)11-14-52(30,51)7)73-45-42(66)43(25(56)20-68-45)74-46-40(64)37(61)34(58)27(19-55)71-46/h8,22-23,25-47,54-66H,9-21H2,1-7H3/t22-,23+,25+,26-,27?,28-,29?,30?,31+,32?,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43+,44-,45+,46+,47?,50+,51-,52-,53+/m1/s1 |
| InChIKey | OOTPRIVIWDPPAS-XZOBVMNLSA-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 | G6ov2ZoxqoJ |
|---|---|
| Name | ARALIASAPONIN-X;28-O-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANOSYL-URSOLIC-ACID-3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-ALPHA-L-ARABINOPYRANO |
| Compound Number | 14 |
| 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)38(62)35(59)28(72-47)21-69-44-39(63)36(60)33(57)26(18-54)70-44)17-16-51(6)24(32(53)23(22)2)8-9-30-50(5)13-12-31(49(3,4)29(50)11-14-52(30,51)7)73-45-42(66)43(25(56)20-68-45)74-46-40(64)37(61)34(58)27(19-55)71-46/h8,22-23,25-47,54-66H,9-21H2,1-7H3/t22-,23+,25+,26-,27?,28-,29?,30?,31+,32?,33-,34-,35-,36+,37+,38+,39-,40-,41-,42-,43+,44-,45+,46+,47?,50+,51-,52-,53+/m1/s1 |
| InChIKey | OOTPRIVIWDPPAS-XZOBVMNLSA-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 | UWLU4433 |