| SpectraBase Compound ID | VsO9SIPvBz |
|---|---|
| InChI | InChI=1S/C71H120O25S.Na/c1-6-7-30-56-59(92-56)36-46(4)32-35-57-55(91-57)31-20-14-12-10-8-9-11-13-17-23-44(2)25-21-26-45(3)24-18-15-16-19-27-48(74)28-22-29-52(90-71-68(85)66(83)64(81)62(95-71)43-89-70-67(84)65(82)63(80)61(42-72)94-70)40-51(77)39-50(76)38-49(75)33-34-53(78)58-41-54(79)69(96-97(86,87)88)60(93-58)37-47(5)73;/h6,8,10,13,17,21,25,44-45,47,49,51-73,75,77-85H,1,4,7,9,11-12,14-16,18-20,22-24,26-43H2,2-3,5H3,(H,86,87,88);/q;+1/p-1/b10-8+,17-13+,25-21+;/t44?,45?,47?,49?,51?,52?,53?,54-,55?,56?,57?,58-,59?,60+,61+,62+,63+,64+,65-,66-,67+,68+,69-,70+,71+;/m0./s1 |
| InChIKey | CKMNQUKFZDNPGV-AEYRWWKSSA-M |
| Mol Weight | 1427.8 g/mol |
| Molecular Formula | C71H119NaO25S |
| Exact Mass | 1426.765885 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5iTKtYWyh7T |
|---|---|
| Name | COLOPSINOL-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C71H119NaO25S |
| InChI | InChI=1S/C71H120O25S.Na/c1-6-7-30-56-59(92-56)36-46(4)32-35-57-55(91-57)31-20-14-12-10-8-9-11-13-17-23-44(2)25-21-26-45(3)24-18-15-16-19-27-48(74)28-22-29-52(90-71-68(85)66(83)64(81)62(95-71)43-89-70-67(84)65(82)63(80)61(42-72)94-70)40-51(77)39-50(76)38-49(75)33-34-53(78)58-41-54(79)69(96-97(86,87)88)60(93-58)37-47(5)73;/h6,8,10,13,17,21,25,44-45,47,49,51-73,75,77-85H,1,4,7,9,11-12,14-16,18-20,22-24,26-43H2,2-3,5H3,(H,86,87,88);/q;+1/p-1/b10-8+,17-13+,25-21+;/t44?,45?,47?,49?,51?,52?,53?,54-,55?,56?,57?,58-,59?,60+,61+,62+,63+,64+,65-,66-,67+,68+,69-,70+,71+;/m0./s1 |
| InChIKey | CKMNQUKFZDNPGV-AEYRWWKSSA-M |
| Literature Reference Author | J.I.KOBAYASHI,T.KUBOTA,M.TAKAHASHI,M.ISHIBASHI,M.TSUDA,H.NAO KI |
| Literature Reference Citation | J.ORG.CHEM.,64,1478(1999) |
| Literature Reference DOI | 10.1021/jo981882b |
| Molecular Weight | 1427.761 g/mol |
| Sample ID | 39457 |
| Solvent | CD3OH |