| SpectraBase Compound ID | FArE3Q13lW5 |
|---|---|
| InChI | InChI=1S/C74H102O40/c1-7-33-37(41(62(92)93)27-103-67(33)111-71-58(88)54(84)50(80)45(23-75)107-71)15-20-101-65(97)43-29-105-69(113-73-60(90)56(86)52(82)47(25-77)109-73)35(9-3)39(43)14-18-99-49(79)22-31(5)12-11-13-32(6)64(96)100-19-17-40-36(10-4)70(114-74-61(91)57(87)53(83)48(26-78)110-74)106-30-44(40)66(98)102-21-16-38-34(8-2)68(104-28-42(38)63(94)95)112-72-59(89)55(85)51(81)46(24-76)108-72/h7-10,13,22,27-30,33-40,45-48,50-61,67-78,80-91H,1-4,11-12,14-21,23-26H2,5-6H3,(H,92,93)(H,94,95)/b31-22+,32-13+/t33?,34?,35?,36?,37?,38?,39?,40?,45-,46+,47-,48+,50-,51+,52-,53+,54+,55-,56+,57-,58-,59+,60-,61+,67-,68+,69-,70+,71+,72-,73+,74-/m1/s1 |
| InChIKey | XAKXHAOGLADPIU-SGTWDWMFSA-N |
| Mol Weight | 1631.6 g/mol |
| Molecular Formula | C74H102O40 |
| Exact Mass | 1630.594738 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CRhBrAmDPmF |
|---|---|
| Name | RHODANTHOSIDE-B |
| Compound Number | 119 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C74H102O40 |
| InChI | InChI=1S/C74H102O40/c1-7-33-37(41(62(92)93)27-103-67(33)111-71-58(88)54(84)50(80)45(23-75)107-71)15-20-101-65(97)43-29-105-69(113-73-60(90)56(86)52(82)47(25-77)109-73)35(9-3)39(43)14-18-99-49(79)22-31(5)12-11-13-32(6)64(96)100-19-17-40-36(10-4)70(114-74-61(91)57(87)53(83)48(26-78)110-74)106-30-44(40)66(98)102-21-16-38-34(8-2)68(104-28-42(38)63(94)95)112-72-59(89)55(85)51(81)46(24-76)108-72/h7-10,13,22,27-30,33-40,45-48,50-61,67-78,80-91H,1-4,11-12,14-21,23-26H2,5-6H3,(H,92,93)(H,94,95)/b31-22+,32-13+/t33?,34?,35?,36?,37?,38?,39?,40?,45-,46+,47-,48+,50-,51+,52-,53+,54+,55-,56+,57-,58-,59+,60-,61+,67-,68+,69-,70+,71+,72-,73+,74-/m1/s1 |
| InChIKey | XAKXHAOGLADPIU-SGTWDWMFSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,689(2007) |
| Literature Reference DOI | 10.1248/cpb.55.689 |
| Molecular Weight | 1631.600 g/mol |
| Sample ID | 37531 |
| Solvent | CD3OD |