| SpectraBase Compound ID | 8J5RHdtKNpn |
|---|---|
| InChI | InChI=1S/C65H110O20S.Na/c1-6-7-30-55-58(82-55)36-45(4)32-35-56-54(81-56)31-20-14-12-10-8-9-11-13-17-23-43(2)25-21-26-44(3)24-18-15-16-19-27-47(68)28-22-29-51(80-65-63(76)62(75)61(74)60(42-66)84-65)40-50(71)39-49(70)38-48(69)33-34-52(72)57-41-53(73)64(85-86(77,78)79)59(83-57)37-46(5)67;/h6,8,10,13,17,21,25,43-44,46,48,50-67,69,71-76H,1,4,7,9,11-12,14-16,18-20,22-24,26-42H2,2-3,5H3,(H,77,78,79);/q;+1/p-1/b10-8+,17-13+,25-21+;/t43?,44?,46?,48?,50?,51?,52?,53-,54?,55?,56?,57-,58?,59+,60+,61+,62-,63+,64-,65+;/m1./s1 |
| InChIKey | PIMWQVGBHJJXFY-VRXKAHNYSA-M |
| Mol Weight | 1265.6 g/mol |
| Molecular Formula | C65H109NaO20S |
| Exact Mass | 1264.713061 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LDU0fDRfFem |
|---|---|
| Name | COLOPSINOL-E |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C65H109NaO20S |
| InChI | InChI=1S/C65H110O20S.Na/c1-6-7-30-55-58(82-55)36-45(4)32-35-56-54(81-56)31-20-14-12-10-8-9-11-13-17-23-43(2)25-21-26-44(3)24-18-15-16-19-27-47(68)28-22-29-51(80-65-63(76)62(75)61(74)60(42-66)84-65)40-50(71)39-49(70)38-48(69)33-34-52(72)57-41-53(73)64(85-86(77,78)79)59(83-57)37-46(5)67;/h6,8,10,13,17,21,25,43-44,46,48,50-67,69,71-76H,1,4,7,9,11-12,14-16,18-20,22-24,26-42H2,2-3,5H3,(H,77,78,79);/q;+1/p-1/b10-8+,17-13+,25-21+;/t43?,44?,46?,48?,50?,51?,52?,53-,54?,55?,56?,57-,58?,59+,60+,61+,62-,63+,64-,65+;/m1./s1 |
| InChIKey | PIMWQVGBHJJXFY-VRXKAHNYSA-M |
| Literature Reference Author | T.KUBOTA,M.TSUDA,M.TAKAHASHI,M.ISHIBASHI,S.OKA,J.I.KOBAYASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,1447(2000) |
| Literature Reference DOI | 10.1248/cpb.48.1447 |
| Molecular Weight | 1265.618 g/mol |
| Solvent | CD3OH |
| Source File Reference | UWVN4596 |