| SpectraBase Compound ID | Jn42YMHCNWs |
|---|---|
| InChI | InChI=1S/C76H123N3O22/c1-41(2)65(88)50(12)73(94)76(14,15)34-33-60(86)77-63(66(89)42(3)4)69(92)47(9)36-45(7)67(90)43(5)31-32-53(82)39-61(87)79-62(51(13)80)58-38-52(81)27-26-28-55(83)44(6)35-46(8)68(91)49(11)56(84)40-54-37-48(10)71(99-17)72(100-54)57(98-16)29-24-22-20-18-19-21-23-25-30-59(85)78-64(75(97)101-58)70(93)74(95)96/h18-26,28-30,33-36,41-44,47-58,62-72,80-84,88-93H,27,31-32,37-40H2,1-17H3,(H,77,86)(H,78,85)(H,79,87)(H,95,96)/b19-18+,22-20+,23-21+,28-26+,29-24+,30-25+,34-33+,45-36+,46-35+/t43?,44-,47?,48-,49-,50-,51?,52?,53?,54-,55+,56+,57?,58?,62?,63-,64?,65-,66?,67?,68-,69+,70?,71-,72+/m0/s1 |
| InChIKey | ALHCXBJQORVIJW-WQNAVNGFSA-N |
| Mol Weight | 1430.8 g/mol |
| Molecular Formula | C76H123N3O22 |
| Exact Mass | 1429.859823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DdMvjRsu9zk |
|---|---|
| Name | MIRABILIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C76H123N3O22 |
| InChI | InChI=1S/C76H123N3O22/c1-41(2)65(88)50(12)73(94)76(14,15)34-33-60(86)77-63(66(89)42(3)4)69(92)47(9)36-45(7)67(90)43(5)31-32-53(82)39-61(87)79-62(51(13)80)58-38-52(81)27-26-28-55(83)44(6)35-46(8)68(91)49(11)56(84)40-54-37-48(10)71(99-17)72(100-54)57(98-16)29-24-22-20-18-19-21-23-25-30-59(85)78-64(75(97)101-58)70(93)74(95)96/h18-26,28-30,33-36,41-44,47-58,62-72,80-84,88-93H,27,31-32,37-40H2,1-17H3,(H,77,86)(H,78,85)(H,79,87)(H,95,96)/b19-18+,22-20+,23-21+,28-26+,29-24+,30-25+,34-33+,45-36+,46-35+/t43?,44-,47?,48-,49-,50-,51?,52?,53?,54-,55+,56+,57?,58?,62?,63-,64?,65-,66?,67?,68-,69+,70?,71-,72+/m0/s1 |
| InChIKey | ALHCXBJQORVIJW-WQNAVNGFSA-N |
| Literature Reference Author | A.PLAZA,H.L.BAKER,C.A.BEWLEY |
| Literature Reference Citation | J.NAT.PROD.,71,473(2008) |
| Literature Reference DOI | 10.1021/np070603p |
| Molecular Weight | 1430.820 g/mol |
| Sample ID | 27480 |
| Solvent | CD3OD |