| SpectraBase Compound ID | Ar61oqROSpc |
|---|---|
| InChI | InChI=1S/C68H114O25S.Na/c1-6-21-43(4)32-49-37-51(75)53(87-49)26-19-18-24-41(2)22-16-14-12-10-8-7-9-11-13-15-17-23-42(3)28-31-55-54(89-55)27-20-25-48(88-68-65(82)63(80)61(78)59(92-68)40-86-67-64(81)62(79)60(77)58(39-69)91-67)36-47(73)35-46(72)34-45(71)29-30-50(74)56-38-52(76)66(93-94(83,84)85)57(90-56)33-44(5)70;/h6,8,10,16,18-19,22,42,44-45,47-71,73-82H,1-2,4,7,9,11-15,17,20-21,23-40H2,3,5H3,(H,83,84,85);/q;+1/p-1/b10-8+,19-18+,22-16+;/t42?,44?,45?,47?,48?,49-,50?,51-,52-,53+,54?,55?,56-,57+,58+,59+,60+,61+,62-,63-,64+,65+,66-,67+,68+;/m0./s1 |
| InChIKey | WJLBKXQBBRMWIG-VNBQKASPSA-M |
| Mol Weight | 1385.7 g/mol |
| Molecular Formula | C68H113NaO25S |
| Exact Mass | 1384.718935 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuytyORc8t7 |
|---|---|
| Name | COLOPSINOL-B |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H113NaO25S |
| InChI | InChI=1S/C68H114O25S.Na/c1-6-21-43(4)32-49-37-51(75)53(87-49)26-19-18-24-41(2)22-16-14-12-10-8-7-9-11-13-15-17-23-42(3)28-31-55-54(89-55)27-20-25-48(88-68-65(82)63(80)61(78)59(92-68)40-86-67-64(81)62(79)60(77)58(39-69)91-67)36-47(73)35-46(72)34-45(71)29-30-50(74)56-38-52(76)66(93-94(83,84)85)57(90-56)33-44(5)70;/h6,8,10,16,18-19,22,42,44-45,47-71,73-82H,1-2,4,7,9,11-15,17,20-21,23-40H2,3,5H3,(H,83,84,85);/q;+1/p-1/b10-8+,19-18+,22-16+;/t42?,44?,45?,47?,48?,49-,50?,51-,52-,53+,54?,55?,56-,57+,58+,59+,60+,61+,62-,63-,64+,65+,66-,67+,68+;/m0./s1 |
| InChIKey | WJLBKXQBBRMWIG-VNBQKASPSA-M |
| Literature Reference Author | T.KUBOTA,M.TSUDA,M.TAKAHASHI,M.ISHIBASHI,H.NAOKI,J.I.KOBAYAS HI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,3483(1999) |
| Literature Reference DOI | 10.1039/a906296c |
| Molecular Weight | 1385.680 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP12178 |