| SpectraBase Compound ID | 8BL7NdopHQn |
|---|---|
| InChI | InChI=1S/C62H104O20S.Na/c1-6-21-42(4)32-48-37-50(69)52(77-48)26-19-18-24-40(2)22-16-14-12-10-8-7-9-11-13-15-17-23-41(3)28-31-54-53(79-54)27-20-25-47(78-62-60(73)59(72)58(71)57(39-63)81-62)36-46(67)35-45(66)34-44(65)29-30-49(68)55-38-51(70)61(82-83(74,75)76)56(80-55)33-43(5)64;/h6,8,10,16,18-19,22,41,43-44,46-65,67-73H,1-2,4,7,9,11-15,17,20-21,23-39H2,3,5H3,(H,74,75,76);/q;+1/p-1/b10-8+,19-18+,22-16+;/t41?,43?,44?,46?,47?,48-,49?,50-,51-,52+,53?,54?,55-,56+,57+,58+,59-,60+,61-,62+;/m1./s1 |
| InChIKey | UXZXFJNHUFORIA-AEIVIGQYSA-M |
| Mol Weight | 1223.5 g/mol |
| Molecular Formula | C62H103NaO20S |
| Exact Mass | 1222.666111 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ArfLuIAHbMv |
|---|---|
| Name | COLOPSINOL-C |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C62H103NaO20S |
| InChI | InChI=1S/C62H104O20S.Na/c1-6-21-42(4)32-48-37-50(69)52(77-48)26-19-18-24-40(2)22-16-14-12-10-8-7-9-11-13-15-17-23-41(3)28-31-54-53(79-54)27-20-25-47(78-62-60(73)59(72)58(71)57(39-63)81-62)36-46(67)35-45(66)34-44(65)29-30-49(68)55-38-51(70)61(82-83(74,75)76)56(80-55)33-43(5)64;/h6,8,10,16,18-19,22,41,43-44,46-65,67-73H,1-2,4,7,9,11-15,17,20-21,23-39H2,3,5H3,(H,74,75,76);/q;+1/p-1/b10-8+,19-18+,22-16+;/t41?,43?,44?,46?,47?,48-,49?,50-,51-,52+,53?,54?,55-,56+,57+,58+,59-,60+,61-,62+;/m1./s1 |
| InChIKey | UXZXFJNHUFORIA-AEIVIGQYSA-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 | 1223.538 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP12179 |