| SpectraBase Compound ID | 3GWX5aCgM7h |
|---|---|
| InChI | InChI=1S/C90H72O40/c91-44-12-1-34(23-54(44)101)3-22-65(107)122-61(83(110)111)30-36-4-18-50(97)78-66(36)71(75(128-78)41-9-15-47(94)57(104)27-41)88(119)124-63(85(114)115)32-38-6-20-52(99)80-68(38)73(77(130-80)43-11-17-49(96)59(106)29-43)90(121)126-64(86(116)117)33-39-7-21-53(100)81-69(39)72(76(129-81)42-10-16-48(95)58(105)28-42)89(120)125-62(84(112)113)31-37-5-19-51(98)79-67(37)70(74(127-79)40-8-14-46(93)56(103)26-40)87(118)123-60(82(108)109)25-35-2-13-45(92)55(102)24-35/h1-24,26-29,60-64,70-77,91-106H,25,30-33H2,(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)/b22-3+/t60-,61-,62-,63-,64-,70+,71+,72+,73+,74-,75-,76-,77-/m1/s1 |
| InChIKey | IVCOCVYAYVWRNN-PMHOYTJNSA-N |
| Mol Weight | 1793.5 g/mol |
| Molecular Formula | C90H72O40 |
| Exact Mass | 1792.359987 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Aar71bkHjOl |
|---|---|
| Name | CLINOPODIC-ACID-M |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C90H72O40 |
| InChI | InChI=1S/C90H72O40/c91-44-12-1-34(23-54(44)101)3-22-65(107)122-61(83(110)111)30-36-4-18-50(97)78-66(36)71(75(128-78)41-9-15-47(94)57(104)27-41)88(119)124-63(85(114)115)32-38-6-20-52(99)80-68(38)73(77(130-80)43-11-17-49(96)59(106)29-43)90(121)126-64(86(116)117)33-39-7-21-53(100)81-69(39)72(76(129-81)42-10-16-48(95)58(105)28-42)89(120)125-62(84(112)113)31-37-5-19-51(98)79-67(37)70(74(127-79)40-8-14-46(93)56(103)26-40)87(118)123-60(82(108)109)25-35-2-13-45(92)55(102)24-35/h1-24,26-29,60-64,70-77,91-106H,25,30-33H2,(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)/b22-3+/t60-,61-,62-,63-,64-,70+,71+,72+,73+,74-,75-,76-,77-/m1/s1 |
| InChIKey | IVCOCVYAYVWRNN-PMHOYTJNSA-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 | 1793.538 g/mol |
| Source File Reference | UWBT4463 |