| SpectraBase Compound ID | 4dfCrzxy9H9 |
|---|---|
| InChI | InChI=1S/C33H42O20/c1-10-3-11-4-12-5-13(46-2)6-14(18(12)23(39)19(11)30(45)48-10)49-32-26(42)25(41)21(37)17(52-32)9-47-31-28(44)29(22(38)16(8-35)50-31)53-33-27(43)24(40)20(36)15(7-34)51-33/h3-6,15-17,20-22,24-29,31-44H,7-9H2,1-2H3/t15-,16-,17-,20-,21-,22-,24+,25+,26-,27-,28-,29+,31-,32-,33+/m1/s1 |
| InChIKey | ZSJPHEBFJPZFFH-VFTFBOENSA-N |
| Mol Weight | 758.7 g/mol |
| Molecular Formula | C33H42O20 |
| Exact Mass | 758.226944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5d3pgDlFuQK |
|---|---|
| Name | TORALACTONE-9-O-[BETA-D-GLUCOPYRANOSYL-(1->3)-O-BETA-D-GLUCOPYRANOSYL-(1->6)-O-BETA-D-GLUCOPYRANOSIDE] |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H42O20 |
| InChI | InChI=1S/C33H42O20/c1-10-3-11-4-12-5-13(46-2)6-14(18(12)23(39)19(11)30(45)48-10)49-32-26(42)25(41)21(37)17(52-32)9-47-31-28(44)29(22(38)16(8-35)50-31)53-33-27(43)24(40)20(36)15(7-34)51-33/h3-6,15-17,20-22,24-29,31-44H,7-9H2,1-2H3/t15-,16-,17-,20-,21-,22-,24+,25+,26-,27-,28-,29+,31-,32-,33+/m1/s1 |
| InChIKey | ZSJPHEBFJPZFFH-VFTFBOENSA-N |
| Literature Reference Author | A.M.EL-HALAWANY,M.H.CHUNG,N.NAKAMURA,C.M.MA,T.NISHIHARA,M.HA TTORI |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,1476(2007) |
| Literature Reference DOI | 10.1248/cpb.55.1476 |
| Molecular Weight | 758.684 g/mol |
| Sample ID | 33472 |
| Solvent | DMSO-D6 |