(+)-Discodermolide
CAS Registry Number®
127943-53-7
CAS Name
(+)-DiscodermolideMolecular Formula
C33H55NO8Molecular Mass
593.79Cite this Page
(+)-Discodermolide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=127943-53-7 (retrieved ) (CAS RN: 127943-53-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C33H55NO8/c1-10-11-12-20(4)31(42-33(34)40)24(8)29(37)22(6)16-18(2)15-21(5)28(36)19(3)13-14-26(35)17-27-23(7)30(38)25(9)32(39)41-27/h10-15,19-31,35-38H,1,16-17H2,2-9H3,(H2,34,40)/b12-11-,14-13-,18-15-/t19-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30-,31-/m0/s1
InChIKey
InChIKey=AADVCYNFEREWOS-OBRABYBLSA-N
SMILES
C([C@@H](/C=C\[C@@H]([C@@H]([C@H](/C=C(\C[C@@H]([C@H]([C@@H]([C@H]([C@H](/C=C\C=C)C)OC(N)=O)C)O)C)/C)C)O)C)O)[C@H]1[C@H](C)[C@H](O)[C@@H](C)C(=O)O1
Canonical SMILES
O=C(OC(C(C=CC=C)C)C(C)C(O)C(C)CC(=CC(C)C(O)C(C=CC(O)CC1OC(=O)C(C)C(O)C1C)C)C)N
Other Names for this Substance
- 2H-Pyran-2-one, 6-[(2S,3Z,5S,6S,7S,8Z,11S,12R,13S,14S,15S,16Z)-14-[(aminocarbonyl)oxy]-2,6,12-trihydroxy-5,7,9,11,13,15-hexamethyl-3,8,16,18-nonadecatetraen-1-yl]tetrahydro-4-hydroxy-3,5-dimethyl-, (3R,4S,5R,6S)-
- 2H-Pyran-2-one, 6-[14-[(aminocarbonyl)oxy]-2,6,12-trihydroxy-5,7,9,11,13,15-hexamethyl-3,8,16,18-nonadecatetraenyl]tetrahydro-4-hydroxy-3,5-dimethyl-, [3R-[3α,4β,5β,6α(2S*,3Z,5S*,6S*,7S*,8Z,11S*,12R*,13S*,14S*,15S*,16Z)]]-
- 2H-Pyran-2-one, 6-[(2S,3Z,5S,6S,7S,8Z,11S,12R,13S,14S,15S,16Z)-14-[(aminocarbonyl)oxy]-2,6,12-trihydroxy-5,7,9,11,13,15-hexamethyl-3,8,16,18-nonadecatetraenyl]tetrahydro-4-hydroxy-3,5-dimethyl-, (3R,4S,5R,6S)-
- (3R,4S,5R,6S)-6-[(2S,3Z,5S,6S,7S,8Z,11S,12R,13S,14S,15S,16Z)-14-[(Aminocarbonyl)oxy]-2,6,12-trihydroxy-5,7,9,11,13,15-hexamethyl-3,8,16,18-nonadecatetraen-1-yl]tetrahydro-4-hydroxy-3,5-dimethyl-2H-pyran-2-one
- Discodermolide
