| SpectraBase Compound ID | 9LDQIqNVUCY |
|---|---|
| InChI | InChI=1S/C41H52O17/c1-21(2)34(47)56-33-29(52-22(3)42)32(54-24(5)44)37(7,8)18-19-38(9,50)36(49)40(51)20-39(10,57-25(6)45)30(53-23(4)43)28(40)31-41(33,17-16-27(46)55-31)58-35(48)26-14-12-11-13-15-26/h11-15,18-19,21,28-33,50-51H,16-17,20H2,1-10H3/b19-18+/t28-,29+,30-,31-,32-,33-,38-,39-,40-,41+/m1/s1 |
| InChIKey | MQCUEGRYZSHOQS-NGBYNSRTSA-N |
| Mol Weight | 816.8 g/mol |
| Molecular Formula | C41H52O17 |
| Exact Mass | 816.32045 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IpwUnxJDe7o |
|---|---|
| Name | 15-O-Deacetyl-13.alpha.-hydroxy-Terracinolide A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C41H52O17 |
| InChI | InChI=1S/C41H52O17/c1-21(2)34(47)56-33-29(52-22(3)42)32(54-24(5)44)37(7,8)18-19-38(9,50)36(49)40(51)20-39(10,57-25(6)45)30(53-23(4)43)28(40)31-41(33,17-16-27(46)55-31)58-35(48)26-14-12-11-13-15-26/h11-15,18-19,21,28-33,50-51H,16-17,20H2,1-10H3/b19-18+/t28-,29+,30-,31-,32-,33-,38-,39-,40-,41+/m1/s1 |
| InChIKey | MQCUEGRYZSHOQS-NGBYNSRTSA-N |
| Molecular Weight | 816.850 g/mol |
| SMILES | O[C@]12C([C@@](\C=C\C([C@@]([C@@]([C@]([C@]3([C@@]([C@]2([C@]([C@@](OC(=O)C)(C)C1)(OC(=O)C)[H])[H])(OC(CC3)=O)[H])OC(=O)c1ccccc1)(OC(=O)C(C)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(C)C)(O)C)=O |
| SPLASH | splash10-0a4i-1900120000-74cd6e0c03434ebf6eed |
| Source of Spectrum | G4-62-112-3 |
| Wiley ID | 1607688 |