| SpectraBase Compound ID | 2NBtduaOo57 |
|---|---|
| InChI | InChI=1S/C69H126O27S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-50(75)62(85)69-63(86)54(79)39-55(95-69)64(87)60(83)43(4)34-36-52(77)68-67(90)66(89)65(88)56(94-68)38-53(78)57(80)41(2)24-20-32-49(74)61(84)59(82)42(3)33-35-51(76)58(81)44(5)37-46(72)27-23-30-48(96-97(91,92)93)29-22-26-45(71)25-21-28-47(73)40-70/h6-8,19,21,25,31,41-42,44-90H,1,4,9-18,20,22-24,26-30,32-40H2,2-3,5H3,(H,91,92,93)/b8-7+,25-21+,31-19+ |
| InChIKey | LMZSZJXZQSGOEG-TULMEOPQSA-N |
| Mol Weight | 1419.8 g/mol |
| Molecular Formula | C69H126O27S |
| Exact Mass | 1418.82072 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGp4dVp3rbI |
|---|---|
| Name | 10-O-SULFO-KMTX_1 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C69H126O27S |
| InChI | InChI=1S/C69H126O27S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31-50(75)62(85)69-63(86)54(79)39-55(95-69)64(87)60(83)43(4)34-36-52(77)68-67(90)66(89)65(88)56(94-68)38-53(78)57(80)41(2)24-20-32-49(74)61(84)59(82)42(3)33-35-51(76)58(81)44(5)37-46(72)27-23-30-48(96-97(91,92)93)29-22-26-45(71)25-21-28-47(73)40-70/h6-8,19,21,25,31,41-42,44-90H,1,4,9-18,20,22-24,26-30,32-40H2,2-3,5H3,(H,91,92,93)/b8-7+,25-21+,31-19+ |
| InChIKey | LMZSZJXZQSGOEG-TULMEOPQSA-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 | 1419.803 g/mol |
| Sample ID | 36543 |
| Solvent | C5D5N:CD3OD=1:2 |