| SpectraBase Compound ID | Ix5XVj9biB0 |
|---|---|
| InChI | InChI=1S/C45H54N4O6/c1-23(50)27(28-16-40-44-30(26-11-9-10-12-36(26)48(44)6)18-38(46(40)4)35(28)22-55-25(3)52)15-31-42(53-8)14-13-37-43(31)32-19-39-34-21-54-20-33(24(2)51)29(34)17-41(47(39)5)45(32)49(37)7/h9-14,20,27-29,34-35,38-41H,15-19,21-22H2,1-8H3/t27-,28+,29+,34-,35-,38+,39+,40+,41+/m1/s1 |
| InChIKey | XFSQSEOTXXDNDL-KOSHYOQJSA-N |
| Mol Weight | 746.9 g/mol |
| Molecular Formula | C45H54N4O6 |
| Exact Mass | 746.404335 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 | 3Rqkjvec8GH |
|---|---|
| Name | O-ACETYLPERHENTIDINE_C |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H54N4O6 |
| InChI | InChI=1S/C45H54N4O6/c1-23(50)27(28-16-40-44-30(26-11-9-10-12-36(26)48(44)6)18-38(46(40)4)35(28)22-55-25(3)52)15-31-42(53-8)14-13-37-43(31)32-19-39-34-21-54-20-33(24(2)51)29(34)17-41(47(39)5)45(32)49(37)7/h9-14,20,27-29,34-35,38-41H,15-19,21-22H2,1-8H3/t27-,28+,29+,34-,35-,38+,39+,40+,41+/m1/s1 |
| InChIKey | XFSQSEOTXXDNDL-KOSHYOQJSA-N |
| Literature Reference Author | S.H.LIM,Y.Y.LOW,S.J.TAN,K.H.LIM,N.F.THOMAS,T.S.KAM |
| Literature Reference Citation | J.NAT.PROD.,75,942(2012) |
| Literature Reference DOI | 10.1021/np300120p |
| Molecular Weight | 746.947 g/mol |
| Sample ID | 40448 |
| Solvent | CDCl3 |