| SpectraBase Compound ID | 1YrTgY4LWnn |
|---|---|
| InChI | InChI=1S/C42H72O15/c1-20-28(46)30(48)32(50)35(53-20)56-33-31(49)29(47)24(19-43)55-36(33)54-23-18-41(8)25(39(6)15-12-26(45)38(4,5)34(23)39)17-22(44)27-21(11-16-40(27,41)7)42(9,51)14-10-13-37(2,3)57-52/h10,13,20-36,43-52H,11-12,14-19H2,1-9H3/b13-10+/t20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30+,31-,32+,33+,34+,35-,36+,39-,40-,41-,42?/m1/s1 |
| InChIKey | HVASPOJCABKKGC-PQJZAYTLSA-N |
| Mol Weight | 817.0 g/mol |
| Molecular Formula | C42H72O15 |
| Exact Mass | 816.487122 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QrkNUEJf2M |
|---|---|
| Name | FLORALQUINQUENOSIDE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O15 |
| InChI | InChI=1S/C42H72O15/c1-20-28(46)30(48)32(50)35(53-20)56-33-31(49)29(47)24(19-43)55-36(33)54-23-18-41(8)25(39(6)15-12-26(45)38(4,5)34(23)39)17-22(44)27-21(11-16-40(27,41)7)42(9,51)14-10-13-37(2,3)57-52/h10,13,20-36,43-52H,11-12,14-19H2,1-9H3/b13-10+/t20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30+,31-,32+,33+,34+,35-,36+,39-,40-,41-,42?/m1/s1 |
| InChIKey | HVASPOJCABKKGC-PQJZAYTLSA-N |
| Literature Reference Author | S.NAKAMURA,S.SUGIMOTO,H.MATSUDA,M.YOSHIKAWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,1342(2007) |
| Literature Reference DOI | 10.1248/cpb.55.1342 |
| Molecular Weight | 817.025 g/mol |
| Sample ID | 56180 |
| Solvent | CDCl3 |