| SpectraBase Compound ID | EalDSNTVIgg |
|---|---|
| InChI | InChI=1S/C45H89NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-14-12-10-8-6-4-2/h36-43,45,47-53H,3-35H2,1-2H3,(H,46,54)/t36-,37+,38+,39-,40-,41+,42+,43-,45-/m0/s1 |
| InChIKey | YKXRYBDEVKVZKS-PWMWNMGNSA-N |
| Mol Weight | 804.2 g/mol |
| Molecular Formula | C45H89NO10 |
| Exact Mass | 803.648648 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6qfHI4a8h5S |
|---|---|
| Name | PNC-1-3A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H89NO10 |
| InChI | InChI=1S/C45H89NO10/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-38(49)44(54)46-36(35-55-45-43(53)42(52)41(51)39(34-47)56-45)40(50)37(48)32-30-28-26-24-22-14-12-10-8-6-4-2/h36-43,45,47-53H,3-35H2,1-2H3,(H,46,54)/t36-,37+,38+,39-,40-,41+,42+,43-,45-/m0/s1 |
| InChIKey | YKXRYBDEVKVZKS-PWMWNMGNSA-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 | 804.202 g/mol |
| Sample ID | 3446 |
| Solvent | C5D5N:D2O=20:1 |