| SpectraBase Compound ID | 6evpkuWulqQ |
|---|---|
| InChI | InChI=1S/C54H44O24/c55-28-8-1-22(15-34(28)61)3-14-41(65)74-39(51(68)69)20-24-4-12-32(59)48-42(24)45(47(78-48)27-7-11-31(58)37(64)19-27)54(73)76-40(52(70)71)21-25-5-13-33(60)49-43(25)44(46(77-49)26-6-10-30(57)36(63)18-26)53(72)75-38(50(66)67)17-23-2-9-29(56)35(62)16-23/h1-16,18-19,38-40,44-47,55-64H,17,20-21H2,(H,66,67)(H,68,69)(H,70,71)/b14-3+/t38-,39-,40-,44+,45+,46-,47-/m1/s1 |
| InChIKey | NNRUWUJIZDLCSC-MHJMLQSESA-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 | I7P0lXcHDFp |
|---|---|
| Name | CLINOPODIC-ACID-K |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H44O24 |
| InChI | InChI=1S/C54H44O24/c55-28-8-1-22(15-34(28)61)3-14-41(65)74-39(51(68)69)20-24-4-12-32(59)48-42(24)45(47(78-48)27-7-11-31(58)37(64)19-27)54(73)76-40(52(70)71)21-25-5-13-33(60)49-43(25)44(46(77-49)26-6-10-30(57)36(63)18-26)53(72)75-38(50(66)67)17-23-2-9-29(56)35(62)16-23/h1-16,18-19,38-40,44-47,55-64H,17,20-21H2,(H,66,67)(H,68,69)(H,70,71)/b14-3+/t38-,39-,40-,44+,45+,46-,47-/m1/s1 |
| InChIKey | NNRUWUJIZDLCSC-MHJMLQSESA-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 | UWBT4461 |