| SpectraBase Compound ID | LXooca5J5cL |
|---|---|
| InChI | InChI=1S/C54H44O24/c55-29-7-1-23(14-34(29)60)17-39(50(66)67)74-42(65)12-3-22-13-28-44(46(77-48(28)38(64)16-22)26-5-9-31(57)36(62)19-26)53(72)76-41(52(70)71)21-25-4-11-33(59)49-43(25)45(47(78-49)27-6-10-32(58)37(63)20-27)54(73)75-40(51(68)69)18-24-2-8-30(56)35(61)15-24/h1-16,19-20,39-41,44-47,55-64H,17-18,21H2,(H,66,67)(H,68,69)(H,70,71)/b12-3+/t39-,40-,41-,44+,45+,46-,47-/m1/s1 |
| InChIKey | UVTOORPUEZFGDK-QTHGQWSMSA-N |
| Mol Weight | 1076.9 g/mol |
| Molecular Formula | C54H44O24 |
| Exact Mass | 1076.222252 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1i96oIVqxWH |
|---|---|
| Name | CLINOPODIC-ACID-O |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H44O24 |
| InChI | InChI=1S/C54H44O24/c55-29-7-1-23(14-34(29)60)17-39(50(66)67)74-42(65)12-3-22-13-28-44(46(77-48(28)38(64)16-22)26-5-9-31(57)36(62)19-26)53(72)76-41(52(70)71)21-25-4-11-33(59)49-43(25)45(47(78-49)27-6-10-32(58)37(63)20-27)54(73)75-40(51(68)69)18-24-2-8-30(56)35(61)15-24/h1-16,19-20,39-41,44-47,55-64H,17-18,21H2,(H,66,67)(H,68,69)(H,70,71)/b12-3+/t39-,40-,41-,44+,45+,46-,47-/m1/s1 |
| InChIKey | UVTOORPUEZFGDK-QTHGQWSMSA-N |
| Literature Reference Author | H.AOSHIMA,T.MIYASE,T.WARASHINA |
| Literature Reference Citation | CHEM.PHARM.BULL.,60,499(2012) |
| Literature Reference DOI | 10.1248/cpb.60.499 |
| Molecular Weight | 1076.929 g/mol |
| Source File Reference | UWBT4465 |