| SpectraBase Compound ID | 81pAfJJ3SmG |
|---|---|
| InChI | InChI=1S/C44H87NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-37(48)43(53)45-35(34-54-44-42(52)41(51)40(50)38(33-46)55-44)39(49)36(47)31-29-27-25-23-14-12-10-8-6-4-2/h35-42,44,46-52H,3-34H2,1-2H3,(H,45,53)/t35-,36+,37+,38-,39-,40+,41+,42-,44-/m0/s1 |
| InChIKey | KQYMTELMIRHEAQ-VRCYFIISSA-N |
| Mol Weight | 790.2 g/mol |
| Molecular Formula | C44H87NO10 |
| Exact Mass | 789.632998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IUOtvh4YN43 |
|---|---|
| Name | PNC-1-1 |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H87NO10 |
| InChI | InChI=1S/C44H87NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-37(48)43(53)45-35(34-54-44-42(52)41(51)40(50)38(33-46)55-44)39(49)36(47)31-29-27-25-23-14-12-10-8-6-4-2/h35-42,44,46-52H,3-34H2,1-2H3,(H,45,53)/t35-,36+,37+,38-,39-,40+,41+,42-,44-/m0/s1 |
| InChIKey | KQYMTELMIRHEAQ-VRCYFIISSA-N |
| Literature Reference Author | K.PAN,M.INAGAKI,N.OHNO,C.TANAKA,R.HIGUCHI,T.MIYAMATO |
| Literature Reference Citation | CHEM.PHARM.BULL.,58,470(2010) |
| Literature Reference DOI | 10.1248/cpb.58.470 |
| Molecular Weight | 790.175 g/mol |
| Sample ID | 3445 |
| Solvent | C5D5N:D2O=10:1 |