| SpectraBase Compound ID | dUl6E7lzVa |
|---|---|
| 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-/m1/s1 |
| InChIKey | BVEXVMARIREFTJ-TXMWGMRISA-N |
| Mol Weight | 819.0 g/mol |
| Molecular Formula | C45H70O13 |
| Exact Mass | 818.481642 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BEvF3IeTrCQ |
|---|---|
| Name | methyl okadaate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. 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-/m1/s1 |
| InChIKey | BVEXVMARIREFTJ-TXMWGMRISA-N |
| Instrument Name | VG Analytical 70-250SEQ |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/rcm.1290050608 |
| Molecular Weight | 819.042 g/mol |
| SMILES | O[C@@]1(C([C@](O[C@]2([C@]1(O[C@]1(CC[C@](\C=C\[C@]([C@]3(O[C@@]4([C@@](CC[C@](O4)(C[C@@](C(OC)=O)(C)O)[H])(O)[H])C=C(C3)C)[H])(C)[H])(O1)[H])CC2)[H])[H])([C@](C[C@@]([C@]1(O[C@@]2(CCCCO2)CC[C@]1(C)[H])[H])(C)[H])(O)[H])[H])=C)[H] |
| SPLASH | splash10-03di-0000097210-1d6635542c738acc64bf |
| Source of Spectrum | RCM-5-285-Fig. 2(a) |
| Wiley ID | 1837239 |