| SpectraBase Compound ID | A3WHDcgDLjJ |
|---|---|
| InChI | InChI=1S/C43H63NO13/c1-13-44-22-40(23-48-8)19-18-27(50-10)43-26-20-41(56-36(46)54-38(2,3)4)28(51-11)21-42(57-37(47)55-39(5,6)7,30(33(43)44)31(52-12)32(40)43)29(26)34(41)53-35(45)24-14-16-25(49-9)17-15-24/h14-17,26-34H,13,18-23H2,1-12H3/t26-,27+,28+,29-,30+,31+,32-,33-,34-,40-,41+,42-,43+/m1/s1 |
| InChIKey | UVROEORVZWDORE-FCVZSFBFSA-N |
| Mol Weight | 802.0 g/mol |
| Molecular Formula | C43H63NO13 |
| Exact Mass | 801.429941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | PLpbfW92ez |
|---|---|
| Name | DEACETYL-8-O,13-DI-TERT.-BUTOXYCARBONYL-CRASSICAULINE-A |
| Compound Number | 16 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H63NO13 |
| InChI | InChI=1S/C43H63NO13/c1-13-44-22-40(23-48-8)19-18-27(50-10)43-26-20-41(56-36(46)54-38(2,3)4)28(51-11)21-42(57-37(47)55-39(5,6)7,30(33(43)44)31(52-12)32(40)43)29(26)34(41)53-35(45)24-14-16-25(49-9)17-15-24/h14-17,26-34H,13,18-23H2,1-12H3/t26-,27+,28+,29-,30+,31+,32-,33-,34-,40-,41+,42-,43+/m1/s1 |
| InChIKey | UVROEORVZWDORE-FCVZSFBFSA-N |
| Literature Reference Author | J.L.WANG,X.L.SHEN,Q.H.CHEN,G.QI,W.WANG,G.QI,W.WANG,F.P.WANG |
| Literature Reference Citation | CHEM.PHARM.BULL.,57,801(2009) |
| Literature Reference DOI | 10.1248/cpb.57.801 |
| Molecular Weight | 801.972 g/mol |
| Sample ID | 2824 |
| Solvent | CDCl3 |