| SpectraBase Compound ID | DVc8Rw3rP0o |
|---|---|
| InChI | InChI=1S/C45H70O13/c1-26-22-35(56-45(24-26)36(47)13-12-32(55-45)25-42(6,50)41(49)51-7)27(2)10-11-31-15-19-44(54-31)20-16-34-40(58-44)37(48)30(5)39(53-34)33(46)23-29(4)38-28(3)14-18-43(57-38)17-8-9-21-52-43/h10-11,24,27-29,31-40,46-48,50H,5,8-9,12-23,25H2,1-4,6-7H3/b11-10+/t27?,28-,29+,31+,32+,33+,34?,35-,36-,37+,38?,39-,40?,42?,43+,44+,45+/m0/s1 |
| InChIKey | BVEXVMARIREFTJ-KXINNVMBSA-N |
| Mol Weight | 819.0 g/mol |
| Molecular Formula | C45H70O13 |
| Exact Mass | 818.481642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G3dR65cvObm |
|---|---|
| Name | OKADAIC-ACID-METHYLESTER |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H70O13 |
| InChI | InChI=1S/C45H70O13/c1-26-22-35(56-45(24-26)36(47)13-12-32(55-45)25-42(6,50)41(49)51-7)27(2)10-11-31-15-19-44(54-31)20-16-34-40(58-44)37(48)30(5)39(53-34)33(46)23-29(4)38-28(3)14-18-43(57-38)17-8-9-21-52-43/h10-11,24,27-29,31-40,46-48,50H,5,8-9,12-23,25H2,1-4,6-7H3/b11-10+/t27?,28-,29+,31+,32+,33+,34?,35-,36-,37+,38?,39-,40?,42?,43+,44+,45+/m0/s1 |
| InChIKey | BVEXVMARIREFTJ-KXINNVMBSA-N |
| Literature Reference Author | J.J.FERNANDEZ,B.SUAREZ-GOMEZ,M.L.SOUTO,M.NORTE |
| Literature Reference Citation | J.NAT.PROD.,66,1294(2003) |
| Literature Reference DOI | 10.1021/np030110u |
| Molecular Weight | 819.043 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1052 |