| SpectraBase Compound ID | 3ntP2BirCGj |
|---|---|
| InChI | InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20?,21-,22+,23+,24?,25+,26?,27?,28-,29+,30+,31-,32+,33+,34?,35+,36+,39-,40-,41-,42-/m1/s1 |
| InChIKey | JBGYSAVRIDZNKA-BWWYHFOOSA-N |
| Mol Weight | 801.0 g/mol |
| Molecular Formula | C42H72O14 |
| Exact Mass | 800.492207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9kxpxfNJYls |
|---|---|
| Name | JBGYSAVRIDZNKA-BWWYHFOOSA-N |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H72O14 |
| InChI | InChI=1S/C42H72O14/c1-19-28(46)30(48)32(50)35(52-19)55-33-31(49)29(47)23(18-43)54-36(33)53-22-17-41(8)24(39(6)13-11-25(45)37(2,3)34(22)39)16-21(44)27-20(10-14-40(27,41)7)42(9)15-12-26(56-42)38(4,5)51/h19-36,43-51H,10-18H2,1-9H3/t19-,20?,21-,22+,23+,24?,25+,26?,27?,28-,29+,30+,31-,32+,33+,34?,35+,36+,39-,40-,41-,42-/m1/s1 |
| InChIKey | JBGYSAVRIDZNKA-BWWYHFOOSA-N |
| Literature Reference Author | O.TANAKA,T.MORITA,R.KASAI,J.KINOUCHI,S.SANADA,Y.IDA,J.SHOJI |
| Literature Reference Citation | CHEM.PHARM.BULL.,33,2323(1985) |
| Literature Reference DOI | 10.1248/cpb.33.2323 |
| Molecular Weight | 801.025 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK122 |