Chem
J-GLOBAL ID:200907002827020314
Nikkaji number:J247.812I
13-O-Tetradecanoylphorbol 12-acetate
13-O-テトラデカノイルホルボール12-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:
C36 H56 O8
Molecular formula furigana:
C36-H56-O8
Molecular weight:
616.836
InChI:
InChI=1S/C36H56O8/c1-7-8-9-10-11-12-13-14-15-16-17-18-29(39)44-36-30(33(36,5)6)27-20-26(22-37)21-34(41)28(19-23(2)31(34)40)35(27,42)24(3)32(36)43-25(4)38/h19-20,24,27-28,30,32,37,41-42H,7-18,21-22H2,1-6H3/t24-,27+,28-,30?,32-,34-,35-,36-/m1/s1
InChI key:
ZMBSVENNGOCBTK-CMMOZPOHSA-N
SMILES:
CCCCCCCCCCCCCC(=O)O[C@]12[C@@H]([C@@H]3C=C(CO)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]3(O)[C@H](C)[C@H]1OC(=O)C)C2(C)C
Systematic name (3):
テトラデカン酸[(1aR,1bβ,4aβ,7aα,7bα,8α,9β,9aα)-9-(アセチルオキシ)-1,1a,1b,4,4a,5,7a,7b,8,9-デカヒドロ-4a,7b-ジヒドロキシ-3-(ヒドロキシメチル)-1,1,6,8-テトラメチル-5-オキソ-9aH-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン]-9a-イル
(1S,2S,6R,10S,11R,13S,14R,15R)-14-(アセチルオキシ)-1,6-ジヒドロキシ-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-13-イル テトラデカノアート
(1S,2S,6R,10S,11R,13S,14R,15R)-14-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.02,6 .011,13 ]pentadeca-3,8-dien-13-yl tetradecanoate
Other name (5):
13-O-テトラデカノイルホルボール12-アセタート
13-O-Tetradecanoylphorbol 12-acetate
12-O-アセチルホルボール(13)-テトラデカノアート
12-O-Acetylphorbol (13)-tetradecanoate
Tetradecanoic acid [(1aR,1bβ,4aβ,7aα,7bα,8α,9β,9aα)-9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen]-9a-yl ester
CAS registry number:
31365-46-5
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