Chem
J-GLOBAL ID：200907066498498389   Nikkaji number：J2.541.216H

Norhalichondrin A

ノルハリコンドリンA
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C59H82O21
Molecular formula furigana： C59-H82-O21
Molecular weight： 1127.284
InChI： InChI=1S/C59H82O21/c1-24-13-30-7-9-34-25(2)14-32(66-34)11-12-58-55(64)59(65)54(80-58)53-52(79-59)51(78-58)50-35(70-53)10-8-31(68-50)15-45(63)73-49-29(6)48-40(69-39(49)17-36(67-30)28(24)5)18-38-42(72-48)22-57(74-38)23-43-47(77-57)27(4)21-56(76-43)20-26(3)46-41(75-56)16-33(60)37(71-46)19-44(61)62/h24,26-27,29-43,46-55,60,64-65H,2,5,7-23H2,1,3-4,6H3,(H,61,62)/t24-,26+,27+,29+,30+,31-,32+,33-,34+,35+,36-,37-,38-,39+,40?,41+,42-,43?,46+,47?,48+,49-,50+,51+,52+,53-,54-,55+,56-,57+,58-,59+/m1/s1
InChI key： NMWGUXUJLUPRSU-LZODVCNKSA-N
SMILES： C[C@H]1C[C@@]2(C[C@H](C)[C@@H]3O[C@H](CC(=O)O)[C@H](O)C[C@@H]3O2)OC2C[C@]3(C[C@H]4O[C@H]5[C@H](C)[C@H]6OC(=O)C[C@H]7CC[C@@H]8O[C@@H]9[C@H]%10O[C@]%11(O)[C@@H](O)[C@@](CC[C@H]%12CC(=C)[C@H](CC[C@H]%13C[C@@H](C)C(=C)[C@@H](C[C@@H]6OC5C[C@H]4O3)O%13)O%12)(O[C@H]9%11)O[C@H]%10[C@H]8O7)OC12
Systematic name  (3)：
  • ノルハリコンドリンA
  • 2-[(1''S,2R,2'S,3''R,4S,4aS,6R,6''S,7R,7'S,8aS,9''S,12''S,14''R,16''R,18''S,22''R,26''R,28''S,29''S,30''R,34''R,37''S,39''R,40''R,41''R,43''R,44''S,46''R)-7,41'',46''-トリヒドロキシ-4,7',14'',29''-テトラメチル-8'',15''-ジメチリデン-32''-オキソ-デカヒドロ-3H,3'H-ジスピロ[ピラノ[3,2-b]ピラン-2,5'-フロ[3,2-b]ピラン-2',24''-[2,19,23,27,31,38,42,45,47,48,49]ウンデカオキスウンデカシクロ[32.9.2.13,40.13,41.16,9.112,16.018,30.020,28.022,26.037,44.039,43]ノナテトラコンタン]-6-イル]酢酸
  • 2-[(1''S,2R,2'S,3''R,4S,4aS,6R,6''S,7R,7'S,8aS,9''S,12''S,14''R,16''R,18''S,22''R,26''R,28''S,29''S,30''R,34''R,37''S,39''R,40''R,41''R,43''R,44''S,46''R)-7,41'',46''-trihydroxy-4,7',14'',29''-tetramethyl-8'',15''-dimethylidene-32''-oxo-decahydro-3H,3'H-dispiro[pyrano[3,2-b]pyran-2,5'-furo[3,2-b]pyran-2',24''-[2,19,23,27,31,38,42,45,47,48,49]undecaoxundecacyclo[32.9.2.13,40.13,41.16,9.112,16.018,30.020,28.022,26.037,44.039,43]nonatetracontan]-6-yl]acetic acid
Other name (1)：
  • Norhalichondrin A
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