| SpectraBase Compound ID | 38CgSXFC1Tt |
|---|---|
| InChI | InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,23-35,42-48H,9-19H2,1-7H3/t23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1 |
| InChIKey | FZAISUXFKLLWQD-CTMYKBMWSA-N |
| Mol Weight | 749.0 g/mol |
| Molecular Formula | C41H64O12 |
| Exact Mass | 748.439777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2oMWJjQOT4L |
|---|---|
| Name | OBLONGANOSIDE-B;3-O-BETA-D-XYLOPYRANOSYL-3-BETA-HYDROXY-URS-12,19(20)-DIEN-28-OIC-ACID-28-BETA-D-GLUCOPYRANOSYLESTER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H64O12 |
| InChI | InChI=1S/C41H64O12/c1-20-10-15-41(36(49)53-35-33(48)31(46)30(45)24(18-42)51-35)17-16-39(6)22(28(41)21(20)2)8-9-26-38(5)13-12-27(37(3,4)25(38)11-14-40(26,39)7)52-34-32(47)29(44)23(43)19-50-34/h8,23-35,42-48H,9-19H2,1-7H3/t23-,24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34+,35+,38+,39-,40-,41+/m1/s1 |
| InChIKey | FZAISUXFKLLWQD-CTMYKBMWSA-N |
| Literature Reference Author | Z.J.WU,M.A.OUYANG,C.Z.WANG,Z.K.ZHANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,422(2007) |
| Literature Reference DOI | 10.1248/cpb.55.422 |
| Molecular Weight | 748.952 g/mol |
| Sample ID | 55457 |
| Solvent | CD3OD |