| SpectraBase Compound ID | HevEPhdvOR1 |
|---|---|
| InChI | InChI=1S/C45H54N4O6/c1-23(50)28(29-15-41-44-32(27-11-9-10-12-37(27)48(44)6)17-39(47(41)5)36(29)22-55-25(3)52)13-26-14-31-33-18-38-35-21-54-20-34(24(2)51)30(35)16-42(46(38)4)45(33)49(7)40(31)19-43(26)53-8/h9-12,14,19-20,28-30,35-36,38-39,41-42H,13,15-18,21-22H2,1-8H3/t28-,29-,30-,35+,36+,38-,39-,41-,42-/m0/s1 |
| InChIKey | NFKJYVQYFJFHMU-LJVRBLHXSA-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 | 9cps7Fww6hs |
|---|---|
| Name | O-ACETYLE-SECO-MACRALSTONINE |
| Compound Number | 6A |
| 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(29-15-41-44-32(27-11-9-10-12-37(27)48(44)6)17-39(47(41)5)36(29)22-55-25(3)52)13-26-14-31-33-18-38-35-21-54-20-34(24(2)51)30(35)16-42(46(38)4)45(33)49(7)40(31)19-43(26)53-8/h9-12,14,19-20,28-30,35-36,38-39,41-42H,13,15-18,21-22H2,1-8H3/t28-,29-,30-,35+,36+,38-,39-,41-,42-/m0/s1 |
| InChIKey | NFKJYVQYFJFHMU-LJVRBLHXSA-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 | 40452 |
| Solvent | CDCl3 |