| SpectraBase Compound ID | GMaudlNEH9r |
|---|---|
| InChI | InChI=1S/C78H124N4O22/c1-51(33-35-61(87)53(3)63(95-13)31-25-37-81(9)49-83)67(99-17)43-69(89)77(5,6)72-46-74-80-60(48-102-74)66(98-16)30-24-20-22-27-57(93-11)39-55(85)41-75(91)103-71(44-68(100-18)52(2)34-36-62(88)54(4)64(96-14)32-26-38-82(10)50-84)78(7,8)70(90)45-73-79-59(47-101-73)65(97-15)29-23-19-21-28-58(94-12)40-56(86)42-76(92)104-72/h19-28,37-38,47-58,63-72,85-86,89-90H,29-36,39-46H2,1-18H3/b23-19+,24-20+,27-22+,28-21+,37-25+,38-26+ |
| InChIKey | MEWISJWGMKBQQA-UQYCHJDXSA-N |
| Mol Weight | 1469.9 g/mol |
| Molecular Formula | C78H124N4O22 |
| Exact Mass | 1468.870722 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | As89QtEXd8k |
|---|---|
| Name | ISORHIZOPODIN;(E)-ISOMER |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H124N4O22 |
| InChI | InChI=1S/C78H124N4O22/c1-51(33-35-61(87)53(3)63(95-13)31-25-37-81(9)49-83)67(99-17)43-69(89)77(5,6)72-46-74-80-60(48-102-74)66(98-16)30-24-20-22-27-57(93-11)39-55(85)41-75(91)103-71(44-68(100-18)52(2)34-36-62(88)54(4)64(96-14)32-26-38-82(10)50-84)78(7,8)70(90)45-73-79-59(47-101-73)65(97-15)29-23-19-21-28-58(94-12)40-56(86)42-76(92)104-72/h19-28,37-38,47-58,63-72,85-86,89-90H,29-36,39-46H2,1-18H3/b23-19+,24-20+,27-22+,28-21+,37-25+,38-26+ |
| InChIKey | MEWISJWGMKBQQA-UQYCHJDXSA-N |
| Literature Reference Author | N.OKU,A.MATSUMOTO,T.MATSUNAGA,Y.ASANO,H.KASAI,S.MATOBA,Y.IGA RASHI |
| Literature Reference Citation | CHEM.PHARM.BULL.,62,294(2014) |
| Literature Reference DOI | 10.1248/cpb.c13-00856 |
| Molecular Weight | 1469.856 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWBT14096 |