| SpectraBase Compound ID | 8q8El6JvHyp |
|---|---|
| InChI | InChI=1S/C68H124O27S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-30-49(74)61(84)68-62(85)53(78)38-54(94-68)63(86)59(82)42(4)33-35-51(76)67-66(89)65(88)64(87)55(93-67)37-52(77)56(79)40(2)23-19-31-48(73)60(83)58(81)41(3)32-34-50(75)57(80)43(5)36-45(71)26-22-29-47(95-96(90,91)92)28-21-25-44(70)24-20-27-46(72)39-69/h6-8,18,20,24,30,40-41,43-89H,1,4,9-17,19,21-23,25-29,31-39H2,2-3,5H3,(H,90,91,92)/b8-7+,24-20+,30-18+ |
| InChIKey | CLHRGQQOFNHUSK-COEBHRPLSA-N |
| Mol Weight | 1405.8 g/mol |
| Molecular Formula | C68H124O27S |
| Exact Mass | 1404.80507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ga1l2SHhSzJ |
|---|---|
| Name | 10-O-SULFO-KMTX_3 |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C68H124O27S |
| InChI | InChI=1S/C68H124O27S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-30-49(74)61(84)68-62(85)53(78)38-54(94-68)63(86)59(82)42(4)33-35-51(76)67-66(89)65(88)64(87)55(93-67)37-52(77)56(79)40(2)23-19-31-48(73)60(83)58(81)41(3)32-34-50(75)57(80)43(5)36-45(71)26-22-29-47(95-96(90,91)92)28-21-25-44(70)24-20-27-46(72)39-69/h6-8,18,20,24,30,40-41,43-89H,1,4,9-17,19,21-23,25-29,31-39H2,2-3,5H3,(H,90,91,92)/b8-7+,24-20+,30-18+ |
| InChIKey | CLHRGQQOFNHUSK-COEBHRPLSA-N |
| Literature Reference Author | R.M.V.WAGONER,J.R.DEEDS,A.O.TATTERS,A.R.PLACE,C.R.TOMAS,J.L. C.WRIGHT |
| Literature Reference Citation | J.NAT.PROD.,73,1360(2010) |
| Literature Reference DOI | 10.1021/np100158r |
| Molecular Weight | 1405.776 g/mol |
| Sample ID | 36541 |
| Solvent | C5D5N:CD3OD=1:2 |