| SpectraBase Compound ID | 2UtA89IPmqU |
|---|---|
| InChI | InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-30,37-43H,2,8-17H2,1,3-6H3/t18-,21-,22-,23-,24-,25+,26-,27+,28-,29-,30+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | VOJUDERLBZKDIW-IGRZNZGCSA-N |
| Mol Weight | 648.8 g/mol |
| Molecular Formula | C36H56O10 |
| Exact Mass | 648.387348 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EeWynPfSEbj |
|---|---|
| Name | 2-ALPHA,3-ALPHA,23-TRIHYDROXY-URS-12,19(29)-DIEN-28-OIC-ACID-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O10 |
| InChI | InChI=1S/C36H56O10/c1-18-9-12-36(31(44)46-30-28(42)27(41)26(40)22(16-37)45-30)14-13-34(5)20(25(36)19(18)2)7-8-24-32(3)15-21(39)29(43)33(4,17-38)23(32)10-11-35(24,34)6/h7,18,21-30,37-43H,2,8-17H2,1,3-6H3/t18-,21-,22-,23-,24-,25+,26-,27+,28-,29-,30+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | VOJUDERLBZKDIW-IGRZNZGCSA-N |
| Literature Reference Author | J.Q.YUAN,X.Z.YANG,J.H.MIAO,C.P.TANG,C.Q.KE,J.B.ZHANG,X.J.MA, Y.LEE |
| Literature Reference Citation | MOLECULES,13,2229(2008) |
| Literature Reference DOI | 10.3390/molecules13092229 |
| Molecular Weight | 648.835 g/mol |
| Sample ID | 56815 |
| Solvent | C5D5N |