| SpectraBase Compound ID | FmWauUrre1N |
|---|---|
| InChI | InChI=1S/C42H68O12/c1-21-28(45)33(54-34-31(48)30(47)29(46)22(19-43)52-34)32(49)35(51-21)53-27-11-12-38(6)23(37(27,4)5)9-13-39(7)24(38)10-14-42-25-17-36(2,3)15-16-41(25,20-50-42)26(44)18-40(39,42)8/h10,14,21-35,43-49H,9,11-13,15-20H2,1-8H3/t21-,22-,23?,24?,25?,26-,27+,28+,29-,30+,31-,32-,33+,34+,35?,38+,39-,40+,41-,42+/m1/s1 |
| InChIKey | KQGDHYQRJRGMDG-AVRIFGHSSA-N |
| Mol Weight | 765.0 g/mol |
| Molecular Formula | C42H68O12 |
| Exact Mass | 764.471078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8BirW5MZUt |
|---|---|
| Name | KQGDHYQRJRGMDG-AVRIFGHSSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H68O12 |
| InChI | InChI=1S/C42H68O12/c1-21-28(45)33(54-34-31(48)30(47)29(46)22(19-43)52-34)32(49)35(51-21)53-27-11-12-38(6)23(37(27,4)5)9-13-39(7)24(38)10-14-42-25-17-36(2,3)15-16-41(25,20-50-42)26(44)18-40(39,42)8/h10,14,21-35,43-49H,9,11-13,15-20H2,1-8H3/t21-,22-,23?,24?,25?,26-,27+,28+,29-,30+,31-,32-,33+,34+,35?,38+,39-,40+,41-,42+/m1/s1 |
| InChIKey | KQGDHYQRJRGMDG-AVRIFGHSSA-N |
| Literature Reference Author | J.-K.DING,H.FUJINO,R.KASAI,N.FUJIMOTO,O.TANAKA,J.ZHOU,H.MATS UURA,T.FUWA |
| Literature Reference Citation | CHEM.PHARM.BULL.,34,1158(1986) |
| Literature Reference DOI | 10.1248/cpb.34.1158 |
| Molecular Weight | 764.995 g/mol |
| Solvent | PYRIDINE-D5 |
| Source File Reference | UWBK171 |