Chem
J-GLOBAL ID：200907014235080681   Nikkaji number：J780.567E

1,5-Dimethyl-3-[1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-hexadecahydroxy-2,4,6,10,12,14,18,20-octamethyl-32-[[3β,4α,5α,6β-tetrahydroxy-6-(2-hydroxyundecyl)tetrahydro-2H-pyran]-2α-yl]-2-dotriaconten-1-ylidene]pyrrolidine-2,4-dione

1,5-ジメチル-3-[1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-ヘキサデカヒドロキシ-2,4,6,10,12,14,18,20-オクタメチル-32-[[3β,4α,5α,6β-テトラヒドロキシ-6-(2-ヒドロキシウンデシル)テトラヒドロ-2H-ピラン]-2α-イル]-2-ドトリアコンテン-1-イリデン]ピロリジン-2,4-ジオン
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： C62H115NO24
Molecular formula furigana： C62-H115-N-O24
Molecular weight： 1258.585
InChI： InChI=1S/C62H115NO24/c1-12-13-14-15-16-17-18-19-38(64)28-62(86)60(84)59(83)57(81)47(87-62)27-46(72)56(80)58(82)55(79)45(71)25-40(66)23-39(65)24-41(67)32(5)50(74)33(6)42(68)26-43(69)34(7)51(75)35(8)52(76)36(9)53(77)44(70)22-30(3)20-29(2)21-31(4)49(73)48-54(78)37(10)63(11)61(48)85/h21,29-30,32-47,50-53,55-60,64-77,79-84,86H,12-20,22-28H2,1-11H3/t29?,30?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47-,50?,51?,52?,53?,55?,56?,57-,58?,59+,60+,62+/m1/s1
InChI key： VAQYWUJSXJULKR-BPMTVMBLSA-N
SMILES： CCCCCCCCCC(O)C[C@]1(O)O[C@H](CC(O)C(O)C(O)C(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)C(C)C(O)C(C)C(O)C(C)C(O)C(O)CC(C)CC(C)C=C(C)C(=C2C(=O)C(C)N(C)C2=O)O)[C@@H](O)[C@H](O)[C@@H]1O
Systematic name  (3)：
  • 1,5-ジメチル-3-[1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-ヘキサデカヒドロキシ-2,4,6,10,12,14,18,20-オクタメチル-32-[[3β,4α,5α,6β-テトラヒドロキシ-6-(2-ヒドロキシウンデシル)テトラヒドロ-2H-ピラン]-2α-イル]-2-ドトリアコンテン-1-イリデン]ピロリジン-2,4-ジオン
  • 3-{1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-ヘキサデカヒドロキシ-2,4,6,10,12,14,18,20-オクタメチル-32-[(2R,3S,4S,5S,6S)-3,4,5,6-テトラヒドロキシ-6-(2-ヒドロキシウンデシル)オキサン-2-イル]ドトリアコンタ-2-エン-1-イリデン}-1,5-ジメチルピロリジン-2,4-ジオン
  • 3-{1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-hexadecahydroxy-2,4,6,10,12,14,18,20-octamethyl-32-[(2R,3S,4S,5S,6S)-3,4,5,6-tetrahydroxy-6-(2-hydroxyundecyl)oxan-2-yl]dotriacont-2-en-1-ylidene}-1,5-dimethylpyrrolidine-2,4-dione
Other name (1)：
  • 1,5-Dimethyl-3-[1,8,9,11,13,15,17,19,21,23,25,27,28,29,30,31-hexadecahydroxy-2,4,6,10,12,14,18,20-octamethyl-32-[[3β,4α,5α,6β-tetrahydroxy-6-(2-hydroxyundecyl)tetrahydro-2H-pyran]-2α-yl]-2-dotriaconten-1-ylidene]pyrrolidine-2,4-dione
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