| SpectraBase Compound ID | JA7kHN6RlwH |
|---|---|
| InChI | InChI=1S/C45H54N4O6/c1-23(50)28(29-16-40-44-31(26-11-9-10-12-37(26)48(44)6)18-39(47(40)5)36(29)22-55-25(3)52)15-33-42(53-8)14-13-27-32-19-38-35-21-54-20-34(24(2)51)30(35)17-41(46(38)4)45(32)49(7)43(27)33/h9-14,20,28-30,35-36,38-41H,15-19,21-22H2,1-8H3/t28-,29+,30+,35-,36-,38+,39+,40+,41+/m1/s1 |
| InChIKey | WPUSOJQRJFUNOE-HXHRXEOCSA-N |
| Mol Weight | 746.9 g/mol |
| Molecular Formula | C45H54N4O6 |
| Exact Mass | 746.404335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FaEcuIzjZ5k |
|---|---|
| Name | O-ACETYLPERHENTIDINE_A |
| Compound Number | 1A |
| 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)28(29-16-40-44-31(26-11-9-10-12-37(26)48(44)6)18-39(47(40)5)36(29)22-55-25(3)52)15-33-42(53-8)14-13-27-32-19-38-35-21-54-20-34(24(2)51)30(35)17-41(46(38)4)45(32)49(7)43(27)33/h9-14,20,28-30,35-36,38-41H,15-19,21-22H2,1-8H3/t28-,29+,30+,35-,36-,38+,39+,40+,41+/m1/s1 |
| InChIKey | WPUSOJQRJFUNOE-HXHRXEOCSA-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 | 40444 |
| Solvent | CDCl3 |