| SpectraBase Compound ID | BL3drjhTRRA |
|---|---|
| InChI | InChI=1S/C72H58O32/c73-37-9-1-29(18-44(37)80)21-50(66(87)88)98-54(86)16-3-28-17-36-57(60(102-63(36)49(85)20-28)33-6-11-39(75)46(82)23-33)70(95)100-52(68(91)92)26-31-4-14-43(79)65-56(31)59(62(104-65)35-8-13-41(77)48(84)25-35)72(97)101-53(69(93)94)27-32-5-15-42(78)64-55(32)58(61(103-64)34-7-12-40(76)47(83)24-34)71(96)99-51(67(89)90)22-30-2-10-38(74)45(81)19-30/h1-20,23-25,50-53,57-62,73-85H,21-22,26-27H2,(H,87,88)(H,89,90)(H,91,92)(H,93,94)/b16-3+/t50-,51-,52-,53-,57+,58+,59+,60-,61-,62-/m1/s1 |
| InChIKey | PDYWXAILFVLNSZ-YEHKZZILSA-N |
| Mol Weight | 1435.2 g/mol |
| Molecular Formula | C72H58O32 |
| Exact Mass | 1434.29112 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 | A0bDcgLwGVf |
|---|---|
| Name | CLINOPODIC-ACID-P |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H58O32 |
| InChI | InChI=1S/C72H58O32/c73-37-9-1-29(18-44(37)80)21-50(66(87)88)98-54(86)16-3-28-17-36-57(60(102-63(36)49(85)20-28)33-6-11-39(75)46(82)23-33)70(95)100-52(68(91)92)26-31-4-14-43(79)65-56(31)59(62(104-65)35-8-13-41(77)48(84)25-35)72(97)101-53(69(93)94)27-32-5-15-42(78)64-55(32)58(61(103-64)34-7-12-40(76)47(83)24-34)71(96)99-51(67(89)90)22-30-2-10-38(74)45(81)19-30/h1-20,23-25,50-53,57-62,73-85H,21-22,26-27H2,(H,87,88)(H,89,90)(H,91,92)(H,93,94)/b16-3+/t50-,51-,52-,53-,57+,58+,59+,60-,61-,62-/m1/s1 |
| InChIKey | PDYWXAILFVLNSZ-YEHKZZILSA-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 | UWBT4466 |