| SpectraBase Compound ID | LFHHZr6Wito |
|---|---|
| InChI | InChI=1S/C72H58O32/c73-36-10-1-28(19-44(36)81)3-18-53(86)98-50(67(89)90)25-30-4-15-41(78)63-54(30)58(61(103-63)34-8-13-39(76)47(84)23-34)71(96)100-52(69(93)94)27-32-6-17-43(80)65-56(32)59(62(104-65)35-9-14-40(77)48(85)24-35)72(97)101-51(68(91)92)26-31-5-16-42(79)64-55(31)57(60(102-64)33-7-12-38(75)46(83)22-33)70(95)99-49(66(87)88)21-29-2-11-37(74)45(82)20-29/h1-20,22-24,49-52,57-62,73-85H,21,25-27H2,(H,87,88)(H,89,90)(H,91,92)(H,93,94)/b18-3+/t49-,50-,51-,52-,57+,58+,59+,60-,61-,62-/m1/s1 |
| InChIKey | LNPJLNQGWJOMSB-SWNPGWGRSA-N |
| Mol Weight | 1435.2 g/mol |
| Molecular Formula | C72H58O32 |
| Exact Mass | 1434.29112 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Rg2er2Ux6e |
|---|---|
| Name | CLINOPODIC-ACID-L |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H58O32 |
| InChI | InChI=1S/C72H58O32/c73-36-10-1-28(19-44(36)81)3-18-53(86)98-50(67(89)90)25-30-4-15-41(78)63-54(30)58(61(103-63)34-8-13-39(76)47(84)23-34)71(96)100-52(69(93)94)27-32-6-17-43(80)65-56(32)59(62(104-65)35-9-14-40(77)48(85)24-35)72(97)101-51(68(91)92)26-31-5-16-42(79)64-55(31)57(60(102-64)33-7-12-38(75)46(83)22-33)70(95)99-49(66(87)88)21-29-2-11-37(74)45(82)20-29/h1-20,22-24,49-52,57-62,73-85H,21,25-27H2,(H,87,88)(H,89,90)(H,91,92)(H,93,94)/b18-3+/t49-,50-,51-,52-,57+,58+,59+,60-,61-,62-/m1/s1 |
| InChIKey | LNPJLNQGWJOMSB-SWNPGWGRSA-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 | 1435.233 g/mol |
| Source File Reference | UWBT4462 |