| SpectraBase Compound ID | 6G2HnTicGz2 |
|---|---|
| InChI | InChI=1S/C31H54O13/c1-6-28(2,40)10-7-19-29(3)11-9-20(43-27-25(39)23(37)22(36)17(13-32)42-27)30(4,15-33)18(29)8-12-31(19,5)44-26-24(38)21(35)16(34)14-41-26/h6,16-27,32-40H,1,7-15H2,2-5H3/t16-,17+,18+,19+,20-,21-,22+,23-,24+,25+,26-,27-,28-,29-,30-,31+/m0/s1 |
| InChIKey | VQBUDTNPBWKQNY-MEGQOOCNSA-N |
| Mol Weight | 634.8 g/mol |
| Molecular Formula | C31H54O13 |
| Exact Mass | 634.356442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0yKsQfO3bP |
|---|---|
| Name | AQUOSIDE-B;3-O-BETA-D-GLUCOPYRANOSYL-(3S,5R,8R,9R,10S,13S)-LABDA-14-EN-3,8,13,18-TETRAOL-8-O-L-ARABINOPYRANOSIDE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H54O13 |
| InChI | InChI=1S/C31H54O13/c1-6-28(2,40)10-7-19-29(3)11-9-20(43-27-25(39)23(37)22(36)17(13-32)42-27)30(4,15-33)18(29)8-12-31(19,5)44-26-24(38)21(35)16(34)14-41-26/h6,16-27,32-40H,1,7-15H2,2-5H3/t16-,17+,18+,19+,20-,21-,22+,23-,24+,25+,26-,27-,28-,29-,30-,31+/m0/s1 |
| InChIKey | VQBUDTNPBWKQNY-MEGQOOCNSA-N |
| Literature Reference Author | H.YOSHIMITSU,M.NISHIDA,T.NOHARA |
| Literature Reference Citation | CHEM.PHARM.BULL.,56,1009(2008) |
| Literature Reference DOI | 10.1248/cpb.56.1009 |
| Molecular Weight | 634.762 g/mol |
| Sample ID | 1885 |
| Solvent | C5D5N |