| SpectraBase Compound ID | IIN6mX9G1op |
|---|---|
| InChI | InChI=1S/C48H78O19/c1-20(2)22-8-13-48(15-14-46(6)23(29(22)48)16-24(51)39-44(4)11-10-28(52)45(5,19-50)27(44)9-12-47(39,46)7)43(61)67-42-36(59)33(56)31(54)26(65-42)18-62-40-37(60)34(57)38(25(17-49)64-40)66-41-35(58)32(55)30(53)21(3)63-41/h21-42,49-60H,1,8-19H2,2-7H3/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,41-,42+,44+,45+,46-,47-,48+/m1/s1 |
| InChIKey | XYDCJMKAJBEFAM-KWWYTONFSA-N |
| Mol Weight | 959.1 g/mol |
| Molecular Formula | C48H78O19 |
| Exact Mass | 958.51373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BN0EGKaORMd |
|---|---|
| Name | ACANKOREOSIDE-B;#2;3-ALPHA,11-ALPHA,23-TRIHYDROXY-LUP-20(29)-EN-28-OIC-ACID-28-O-ALPHA-L-RHAMNOPYRANOSYL-(1->4)-BETA-D-GLUCOPYRANOSYL-(1->6)-BETA-D-GLUCOPYRANO |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O19 |
| InChI | InChI=1S/C48H78O19/c1-20(2)22-8-13-48(15-14-46(6)23(29(22)48)16-24(51)39-44(4)11-10-28(52)45(5,19-50)27(44)9-12-47(39,46)7)43(61)67-42-36(59)33(56)31(54)26(65-42)18-62-40-37(60)34(57)38(25(17-49)64-40)66-41-35(58)32(55)30(53)21(3)63-41/h21-42,49-60H,1,8-19H2,2-7H3/t21-,22+,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38-,39-,40-,41-,42+,44+,45+,46-,47-,48+/m1/s1 |
| InChIKey | XYDCJMKAJBEFAM-KWWYTONFSA-N |
| Literature Reference Author | S.Y.CHANG,C.S.YOOK,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,46,163(1998) |
| Literature Reference DOI | 10.1248/cpb.46.163 |
| Molecular Weight | 959.136 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMS6169 |