Chem
J-GLOBAL ID:200907060276704187
Nikkaji number:J69.990J
12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate
12-O-2Z,4E-オクタジエノイル-4-デオキシホルボール13-アセタート
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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:
C30 H40 O7
Molecular formula furigana:
C30-H40-O7
Molecular weight:
512.643
InChI:
InChI=1S/C30H40O7/c1-7-8-9-10-11-12-24(33)36-27-18(3)29(35)22-13-17(2)25(34)21(22)14-20(16-31)15-23(29)26-28(5,6)30(26,27)37-19(4)32/h9-13,15,18,21-23,26-27,31,35H,7-8,14,16H2,1-6H3/b10-9+,12-11-/t18-,21+,22-,23+,26-,27-,29+,30-/m1/s1
InChI key:
ALKHEZOKTHCOBM-MGZHOKCZSA-N
SMILES:
CCC/C=C/C=C\C(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@H]3CC(=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)C)CO
Systematic name (4):
(2Z,4E)-2,4-オクタジエン酸[[(1aR)-9aα-(アセチルオキシ)-1aα,1bβ,4,4aβ,5,7aα,7b,8,9,9a-デカヒドロ-7bα-ヒドロキシ-3-(ヒドロキシメチル)-1,1,6,8α-テトラメチル-5-オキソ-1H-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン]-9β-イル]
(1aR)-9aα-アセチルオキシ-1,1aα,1bβ,4,4aβ,7aα,7b,8,9,9a-デカヒドロ-7bα-ヒドロキシ-3-ヒドロキシメチル-1,1,6,8α-テトラメチル-9β-[[(2Z,4E)-1-オキソ-2,4-オクタジエニル]オキシ]-5H-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン-5-オン
(1R,2R,6S,10S,11R,13S,14R,15R)-13-(アセチルオキシ)-1-ヒドロキシ-8-(ヒドロキシメチル)-4,12,12,15-テトラメチル-5-オキソテトラシクロ[8.5.0.02,6 .011,13 ]ペンタデカ-3,8-ジエン-14-イル (2Z,4E)-オクタ-2,4-ジエノアート
(1R,2R,6S,10S,11R,13S,14R,15R)-13-(acetyloxy)-1-hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.02,6 .011,13 ]pentadeca-3,8-dien-14-yl (2Z,4E)-octa-2,4-dienoate
Other name (5):
12-O-2Z,4E-Octadienoyl-4-deoxyphorbol 13-acetate
12-O-2Z,4E-オクタジエノイル-4-デオキシホルボール13-アセタート
(1aR)-9aα-Acetyloxy-1,1aα,1bβ,4,4aβ,7aα,7b,8,9,9a-decahydro-7bα-hydroxy-3-hydroxymethyl-1,1,6,8α-tetramethyl-9β-[[(2Z,4E)-1-oxo-2,4-octadienyl]oxy]-5H-cyclopropa[3,4]benz[1,2-e]azulen-5-one
12-O-[(2Z,4E)-オクタジエノイル]-4-デオキシホルボール13-アセタート
12-O-[(2Z,4E)-Octadienoyl]-4-deoxyphorbol 13-acetate
CAS registry number:
70028-76-1
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