| SpectraBase Spectrum ID |
LJBVNrFz26j |
| Name |
Discodermolide tetraacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C41H63NO12 |
| InChI |
InChI=1S/C41H63NO12/c1-14-15-16-23(3)37(54-41(42)48)28(8)38(51-32(12)45)26(6)20-22(2)19-25(5)36(50-31(11)44)24(4)17-18-34(49-30(10)43)21-35-27(7)39(52-33(13)46)29(9)40(47)53-35/h14-19,23-29,34-39H,1,20-21H2,2-13H3,(H2,42,48)/b16-15-,18-17-,22-19-/t23-,24-,25-,26-,27-,28+,29+,34+,35?,36-,37-,38+,39-/m0/s1 |
| InChIKey |
PWBSZAOOBIXHLV-BISACWFKSA-N |
| Molecular Weight |
761.950 g/mol |
| SMILES |
NC(O[C@]([C@]([C@@]([C@](C\C(=C/[C@@]([C@]([C@](\C=C/[C@](CC1OC([C@@]([C@@](OC(=O)C)([C@]1(C)[H])[H])(C)[H])=O)(OC(=O)C)[H])(C)[H])(OC(=O)C)[H])(C)[H])C)(C)[H])(OC(=O)C)[H])(C)[H])([C@](\C=C/C=C)(C)[H])[H])=O |
| SPLASH |
splash10-02cr-0921000000-c30f61e070fab57e69b2 |
| Source of Spectrum |
J-55-4915-2 |
| Synonyms |
(2S,3Z,5S,6S,7S,8Z,11S,12R,13S,14S,15S,16Z)-2,12-bis(acetyloxy)-1-[(3S,4S,5R)-4-(acetyloxy)-3,5-dimethyl-6-oxooxan-2-yl]-14-(carbamoyloxy)-5,7,9,11,13,15-hexamethylnonadeca-3,8,16,18-tetraen-6-yl acetate |
| Wiley ID |
1416537 |
