| SpectraBase Compound ID | A4i43zZjk8n |
|---|---|
| InChI | InChI=1S/C55H80O20/c1-27-17-22-55(49(63)75-48-45(72-34(8)62)43(70-32(6)60)41(68-30(4)58)37(73-48)25-65-28(2)56)24-23-52(12)35(46(55)54(27,14)64)15-16-39-51(11)20-19-40(50(9,10)38(51)18-21-53(39,52)13)74-47-44(71-33(7)61)42(69-31(5)59)36(26-66-47)67-29(3)57/h15,27,36-48,64H,16-26H2,1-14H3/t27-,36+,37-,38+,39-,40+,41-,42+,43+,44-,45-,46-,47+,48+,51+,52-,53-,54-,55+/m1/s1 |
| InChIKey | AUGIKGBZMUQUJD-LVBPZOMCSA-N |
| Mol Weight | 1061.2 g/mol |
| Molecular Formula | C55H80O20 |
| Exact Mass | 1060.524295 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ZRqjO1yPkp |
|---|---|
| Name | URSOLIC-ACID-3-O-ALPHA-L-(2,3,4-TETRAACETYL-ARABINOPYRANOSIDE)-28-O-BETA-D-(2,3,4,6-TETRAACETYL-GLUCOPYRANOSIDE) |
| Compound Number | 6-AC |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C55H80O20 |
| InChI | InChI=1S/C55H80O20/c1-27-17-22-55(49(63)75-48-45(72-34(8)62)43(70-32(6)60)41(68-30(4)58)37(73-48)25-65-28(2)56)24-23-52(12)35(46(55)54(27,14)64)15-16-39-51(11)20-19-40(50(9,10)38(51)18-21-53(39,52)13)74-47-44(71-33(7)61)42(69-31(5)59)36(26-66-47)67-29(3)57/h15,27,36-48,64H,16-26H2,1-14H3/t27-,36+,37-,38+,39-,40+,41-,42+,43+,44-,45-,46-,47+,48+,51+,52-,53-,54-,55+/m1/s1 |
| InChIKey | AUGIKGBZMUQUJD-LVBPZOMCSA-N |
| Literature Reference Author | G.REHER,M.BUDESINSKY |
| Literature Reference Citation | PHYTOCHEM.,31,3909(1992) |
| Literature Reference DOI | 10.1016/S0031-9422(00)97552-6 |
| Molecular Weight | 1061.228 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS28232 |