Technical Information |
Synonym: (-)-Calyculin A; Calyculin A; Hemicalyculin A; Chemical Name: (2R, 3R, 5R, 7S, 8S, 9R)-2-((1S, 3S, 4S, 5R, 6R, 7E, 9E, 11E, 13Z)-14-cyano-3, 5-dihydroxy-1-methoxy-4, 6, 8, 9, 13-pentamethyltetradeca-7, 9, 11, 13-tetraen-1-yl)-7-((E)-3-(2-((S)-4-((2S, 3S, 4S)-4-(dimethylamino)-2, 3-dihydroxy-5-methoxypentanamido)butan-2-yl)oxazol-4-yl)allyl)-9-hydroxy-4, 4, 8-trimethyl-1, 6-dioxaspiro[4.5]decan-3-yl dihydrogen phosphate InChi Key: FKAWLXNLHHIHLA-YCBIHMBMSA-N InChi Code: InChI=1S/C50H81N4O15P/c1-29(20-22-51)16-14-17-30(2)32(4)24-33(5)42(57)35(7)38(55)25-41(65-13)45-46(69-70(61, 62)63)49(8, 9)50(68-45)26-39(56)34(6)40(67-50)19-15-18-36-27-66-48(53-36)31(3)21-23-52-47(60)44(59)43(58)37(28-64-12)54(10)11/h14-18, 20, 24, 27, 31, 33-35, 37-46, 55-59H, 19, 21, 23, 25-26, 28H2, 1-13H3, (H, 52, 60)(H2, 61, 62, 63)/b16-14+, 18-15+, 29-20-, 30-17+, 32-24+/t31-, 33+, 34-, 35-, 37-, 38-, 39+, 40-, 41-, 42+, 43-, 44-, 45+, 46-, 50+/m0/s1 SMILES Code: O[CH]([CH]([CH](N(C)C)COC)O)C(NCC[CH](C1=NC(/C=C/C[CH]([CH](C)[CH](O)C2)O[C]32C(C)(C)[CH](OP(O)(O)=O)[CH]([CH](OC)C[CH](O)[CH](C)[CH](O)[CH](C)/C=C(C)/C(C)=C/C=C/C(C)=C\C#N)O3)=CO1)C)=O |