| SpectraBase Compound ID | JBcB2tHluPr |
|---|---|
| InChI | InChI=1S/C38H52O18/c1-18(2)32(46)53-31-27(49-19(3)39)30(51-21(5)41)34(9,10)15-16-35(11,48)33(47)38(56-24(8)44)17-36(12,54-22(6)42)28(50-20(4)40)26(38)29-37(31,55-23(7)43)14-13-25(45)52-29/h15-16,18,26-31,48H,13-14,17H2,1-12H3/b16-15+/t26-,27+,28-,29-,30-,31-,35-,36-,37+,38-/m1/s1 |
| InChIKey | KOPJPWSRYZRWPD-QIPSFQQVSA-N |
| Mol Weight | 796.8 g/mol |
| Molecular Formula | C38H52O18 |
| Exact Mass | 796.315365 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GGroeqi791z |
|---|---|
| Name | 13.alpha.-Hydroxy-Terracinolide B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C38H52O18 |
| InChI | InChI=1S/C38H52O18/c1-18(2)32(46)53-31-27(49-19(3)39)30(51-21(5)41)34(9,10)15-16-35(11,48)33(47)38(56-24(8)44)17-36(12,54-22(6)42)28(50-20(4)40)26(38)29-37(31,55-23(7)43)14-13-25(45)52-29/h15-16,18,26-31,48H,13-14,17H2,1-12H3/b16-15+/t26-,27+,28-,29-,30-,31-,35-,36-,37+,38-/m1/s1 |
| InChIKey | KOPJPWSRYZRWPD-QIPSFQQVSA-N |
| Molecular Weight | 796.816 g/mol |
| SMILES | O[C@]1(C([C@@]2([C@@]([C@@]3([C@@]([C@@]([C@]([C@](C(\C=C\1)(C)C)(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C(C)C)[H])(OC(=O)C)CCC(=O)O3)[H])([C@]([C@@](OC(=O)C)(C)C2)(OC(=O)C)[H])[H])OC(=O)C)=O)C |
| SPLASH | splash10-06xx-4900123300-15cf8ed7ac1a989c2838 |
| Source of Spectrum | G4-62-112-1 |
| Wiley ID | 1607690 |