| SpectraBase Compound ID | AP4eKwYlQ1C |
|---|---|
| InChI | InChI=1S/C85H137N3O26/c1-45(2)70(95)68(86-65(93)37-38-84(15,16)77(102)56(13)78(103)85(17,18)83(108)111-21)74(99)52(9)42-50(7)71(96)47(4)33-35-60(89)54(11)79(104)88-67-57(14)112-81(106)69(76(101)82(107)110-20)87-64(92)32-30-28-26-24-22-23-25-27-29-31-58-39-46(3)40-59(113-58)43-61(90)53(10)73(98)51(8)41-49(6)72(97)48(5)34-36-63(55(12)75(67)100)114-66(94)44-62(91)80(105)109-19/h23,25-30,32,34,37-38,41-42,45-47,49,52-63,67-76,78,89-91,95-101,103H,22,24,31,33,35-36,39-40,43-44H2,1-21H3,(H,86,93)(H,87,92)(H,88,104)/b25-23+,28-26+,29-27+,32-30+,38-37+,48-34+,50-42+,51-41+/t46-,47?,49?,52?,53?,54?,55?,56?,57?,58?,59+,60?,61?,62?,63?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,78?/m1/s1 |
| InChIKey | BEEFLDUCLABYAU-AJDAJTJASA-N |
| Mol Weight | 1617.0 g/mol |
| Molecular Formula | C85H137N3O26 |
| Exact Mass | 1615.949032 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BbaNS47K1OE |
|---|---|
| Name | 4',36-DI-O-METHYL-CHONDROPSIN-D |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C85H137N3O26 |
| InChI | InChI=1S/C85H137N3O26/c1-45(2)70(95)68(86-65(93)37-38-84(15,16)77(102)56(13)78(103)85(17,18)83(108)111-21)74(99)52(9)42-50(7)71(96)47(4)33-35-60(89)54(11)79(104)88-67-57(14)112-81(106)69(76(101)82(107)110-20)87-64(92)32-30-28-26-24-22-23-25-27-29-31-58-39-46(3)40-59(113-58)43-61(90)53(10)73(98)51(8)41-49(6)72(97)48(5)34-36-63(55(12)75(67)100)114-66(94)44-62(91)80(105)109-19/h23,25-30,32,34,37-38,41-42,45-47,49,52-63,67-76,78,89-91,95-101,103H,22,24,31,33,35-36,39-40,43-44H2,1-21H3,(H,86,93)(H,87,92)(H,88,104)/b25-23+,28-26+,29-27+,32-30+,38-37+,48-34+,50-42+,51-41+/t46-,47?,49?,52?,53?,54?,55?,56?,57?,58?,59+,60?,61?,62?,63?,67?,68?,69?,70?,71?,72?,73?,74?,75?,76?,78?/m1/s1 |
| InChIKey | BEEFLDUCLABYAU-AJDAJTJASA-N |
| Literature Reference Author | M.A.RASHID,C.L.CANTRELL,K.R.GUSTAFSON,M.R.BOYD |
| Literature Reference Citation | J.NAT.PROD.,64,1341(2001) |
| Literature Reference DOI | 10.1021/np0101907 |
| Molecular Weight | 1617.027 g/mol |
| Solvent | DMF-D7 |
| Source File Reference | UWSI2171 |