| SpectraBase Compound ID | 22OAGbEV4fk |
|---|---|
| InChI | InChI=1S/C36H56O11/c1-18-8-11-36(31(45)47-30-28(43)27(42)26(41)22(16-38)46-30)13-12-34(4)20(25(36)19(18)15-37)6-7-24-32(2)14-21(40)29(44)33(3,17-39)23(32)9-10-35(24,34)5/h6,21-30,37-44H,7-17H2,1-5H3/t21-,22-,23-,24-,25+,26-,27+,28-,29-,30+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | SMASGQFNABXYAX-BFXBTRFGSA-N |
| Mol Weight | 664.8 g/mol |
| Molecular Formula | C36H56O11 |
| Exact Mass | 664.382263 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 25gOuu3ZNRQ |
|---|---|
| Name | 2-ALPHA,3-ALPHA,23,29-TETRAHYDROXY-URS-12,19-DIEN-28-OIC-ACID-28-O-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H56O11 |
| InChI | InChI=1S/C36H56O11/c1-18-8-11-36(31(45)47-30-28(43)27(42)26(41)22(16-38)46-30)13-12-34(4)20(25(36)19(18)15-37)6-7-24-32(2)14-21(40)29(44)33(3,17-39)23(32)9-10-35(24,34)5/h6,21-30,37-44H,7-17H2,1-5H3/t21-,22-,23-,24-,25+,26-,27+,28-,29-,30+,32+,33+,34-,35-,36+/m1/s1 |
| InChIKey | SMASGQFNABXYAX-BFXBTRFGSA-N |
| Literature Reference Author | B.HUANG,H.Z.FU,W.K.CHEN,Y.H.LUO,S.C.MA |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,695(2014) |
| Literature Reference DOI | 10.1248/cpb.c14-00159 |
| Molecular Weight | 664.834 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT13912 |