| SpectraBase Compound ID | 5G7VPbXH5NF |
|---|---|
| InChI | InChI=1S/C37H48O14/c1-18-26(47-19(2)38)15-25-30(43)32-36(9,33(51-23(6)42)31(50-22(5)41)29(18)35(25,7)8)27(48-20(3)39)16-28(49-21(4)40)37(32,45)17-46-34(44)24-13-11-10-12-14-24/h10-14,25-28,30-33,43,45H,15-17H2,1-9H3/t25-,26-,27-,28-,30+,31+,32-,33-,36+,37-/m0/s1 |
| InChIKey | QEHCTLITMBBFGI-YIFMMSFHSA-N |
| Mol Weight | 716.8 g/mol |
| Molecular Formula | C37H48O14 |
| Exact Mass | 716.304406 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LZ1rO8otrER |
|---|---|
| Name | Taxumairol A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H48O14 |
| InChI | InChI=1S/C37H48O14/c1-18-26(47-19(2)38)15-25-30(43)32-36(9,33(51-23(6)42)31(50-22(5)41)29(18)35(25,7)8)27(48-20(3)39)16-28(49-21(4)40)37(32,45)17-46-34(44)24-13-11-10-12-14-24/h10-14,25-28,30-33,43,45H,15-17H2,1-9H3/t25-,26-,27-,28-,30+,31+,32-,33-,36+,37-/m0/s1 |
| InChIKey | QEHCTLITMBBFGI-YIFMMSFHSA-N |
| Molecular Weight | 716.777 g/mol |
| SMILES | O[C@@]1([C@@]2([C@]([C@]([C@@](C3=C([C@](C[C@@]([C@]2(O)[H])(C3(C)C)[H])(OC(=O)C)[H])C)(OC(=O)C)[H])(OC(=O)C)[H])([C@](C[C@@]1(OC(=O)C)[H])(OC(=O)C)[H])C)[H])COC(=O)c1ccccc1 |
| SPLASH | splash10-0006-9400000000-f5923e8f8963974763bd |
| Source of Spectrum | G4-59-176-1 |
| Synonyms | 5.alpha.,7.beta.,9.alpha.,13.alpha.-Penatacetoxy-2.alpha.-(benzoyloxy)-4.alpha.,20-dihydroxytax-1-ene |
| Wiley ID | 1606228 |