| SpectraBase Compound ID | 9mFWgMcmknm |
|---|---|
| InChI | InChI=1S/C48H78O20/c1-43(2)12-14-48(42(62)68-40-34(59)32(57)29(54)23(18-50)64-40)15-13-46(6)20(27(48)37(43)61)8-9-26-45(5)16-21(52)38(44(3,4)25(45)10-11-47(26,46)7)67-41-35(60)36(30(55)24(19-51)65-41)66-39-33(58)31(56)28(53)22(17-49)63-39/h8,21-41,49-61H,9-19H2,1-7H3/t21-,22-,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41+,45+,46-,47-,48+/m1/s1 |
| InChIKey | IUESDFBPFVYMOQ-HLFSMFSXSA-N |
| Mol Weight | 975.1 g/mol |
| Molecular Formula | C48H78O20 |
| Exact Mass | 974.508645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C1A8uibLS3l |
|---|---|
| Name | CATUNAROSIDE-I;3-O-BETA-D-GLUCOPYRANOSYL-(1->3)-BETA-D-GLUCOPYRANOSYL-ARJUNIC-ACID-28-O-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H78O20 |
| InChI | InChI=1S/C48H78O20/c1-43(2)12-14-48(42(62)68-40-34(59)32(57)29(54)23(18-50)64-40)15-13-46(6)20(27(48)37(43)61)8-9-26-45(5)16-21(52)38(44(3,4)25(45)10-11-47(26,46)7)67-41-35(60)36(30(55)24(19-51)65-41)66-39-33(58)31(56)28(53)22(17-49)63-39/h8,21-41,49-61H,9-19H2,1-7H3/t21-,22-,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35-,36+,37+,38+,39+,40+,41+,45+,46-,47-,48+/m1/s1 |
| InChIKey | IUESDFBPFVYMOQ-HLFSMFSXSA-N |
| Literature Reference Author | J.LI,X.HUANG,X.H.JIANG,Q.F.ZHU,Y.YANG,G.C.GAO |
| Literature Reference Citation | CHEM.PHARM.BULL.,63,388(2015) |
| Literature Reference DOI | 10.1248/cpb.c15-00055 |
| Molecular Weight | 975.135 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWPA10063 |