| SpectraBase Compound ID | LIRXYuQPyd0 |
|---|---|
| InChI | InChI=1S/C76H106O40/c1-9-35-39(43(65(95)99-7)29-105-69(35)113-73-60(90)56(86)52(82)47(25-77)109-73)18-22-103-67(97)45-31-107-71(115-75-62(92)58(88)54(84)49(27-79)111-75)37(11-3)41(45)16-20-101-51(81)24-33(5)14-13-15-34(6)64(94)102-21-17-42-38(12-4)72(116-76-63(93)59(89)55(85)50(28-80)112-76)108-32-46(42)68(98)104-23-19-40-36(10-2)70(106-30-44(40)66(96)100-8)114-74-61(91)57(87)53(83)48(26-78)110-74/h9-12,15,24,29-32,35-42,47-50,52-63,69-80,82-93H,1-4,13-14,16-23,25-28H2,5-8H3/b33-24+,34-15+/t35-,36+,37-,38+,39+,40-,41+,42-,47+,48-,49+,50-,52+,53-,54+,55-,56-,57+,58-,59+,60+,61-,62+,63-,69+,70-,71+,72-,73-,74+,75-,76+/m0/s1 |
| InChIKey | PPWJCVVRNSXHOH-UCWWNANBSA-N |
| Mol Weight | 1659.6 g/mol |
| Molecular Formula | C76H106O40 |
| Exact Mass | 1658.626038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3CR90nRwJ4 |
|---|---|
| Name | RHODANTHOSIDE-C |
| Compound Number | 120 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H106O40 |
| InChI | InChI=1S/C76H106O40/c1-9-35-39(43(65(95)99-7)29-105-69(35)113-73-60(90)56(86)52(82)47(25-77)109-73)18-22-103-67(97)45-31-107-71(115-75-62(92)58(88)54(84)49(27-79)111-75)37(11-3)41(45)16-20-101-51(81)24-33(5)14-13-15-34(6)64(94)102-21-17-42-38(12-4)72(116-76-63(93)59(89)55(85)50(28-80)112-76)108-32-46(42)68(98)104-23-19-40-36(10-2)70(106-30-44(40)66(96)100-8)114-74-61(91)57(87)53(83)48(26-78)110-74/h9-12,15,24,29-32,35-42,47-50,52-63,69-80,82-93H,1-4,13-14,16-23,25-28H2,5-8H3/b33-24+,34-15+/t35-,36+,37-,38+,39+,40-,41+,42-,47+,48-,49+,50-,52+,53-,54+,55-,56-,57+,58-,59+,60+,61-,62+,63-,69+,70-,71+,72-,73-,74+,75-,76+/m0/s1 |
| InChIKey | PPWJCVVRNSXHOH-UCWWNANBSA-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 | 1659.654 g/mol |
| Sample ID | 37532 |
| Solvent | CD3OD |