Chem
J-GLOBAL ID:200907013708026420
Nikkaji number:J366.990D
Phorbol 13-butyrate
ホルボール13-ブチラート
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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:
C24 H34 O7
Molecular formula furigana:
C24-H34-O7
Molecular weight:
434.529
InChI:
InChI=1S/C24H34O7/c1-6-7-17(26)31-24-18(21(24,4)5)15-9-14(11-25)10-22(29)16(8-12(2)19(22)27)23(15,30)13(3)20(24)28/h8-9,13,15-16,18,20,25,28-30H,6-7,10-11H2,1-5H3/t13-,15+,16-,18-,20-,22-,23-,24-/m1/s1
InChI key:
FZXHDWWEDNRATG-JUDMOCROSA-N
SMILES:
CCCC(=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]1O)C2(C)C
Systematic name (4):
(1aR)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-デカヒドロ-3-(ヒドロキシメチル)-5-オキソ-1,1,6,8α-テトラメチル-5H-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン-4aβ,7bα,9β,9aα-テトラオール9a-ブチラート
(1aR)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-デカヒドロ-3-ヒドロキシメチル-5-オキソ-1,1,6,8α-テトラメチル-5H-シクロプロパ[3,4]ベンゾ[1,2-e]アズレン-4aβ,7bα,9β,9aα-テトラオール9a-ブタノアート
(1S,2S,6R,10S,11R,13S,14R,15R)-1,6,14-トリヒドロキシ-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 ブタノアート
(1S,2S,6R,10S,11R,13S,14R,15R)-1,6,14-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.02,6 .011,13 ]pentadeca-3,8-dien-13-yl butanoate
Other name (6):
ホルボール13-ブチラート
Phorbol 13-butyrate
(1aR)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-Decahydro-3-(hydroxymethyl)-5-oxo-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benz[1,2-e]azulene-4aβ,7bα,9β,9aα-tetrol 9a-butyrate
(1aR)-1,1aα,1bβ,4,4a,7aα,7b,8,9,9a-Decahydro-3-hydroxymethyl-5-oxo-1,1,6,8α-tetramethyl-5H-cyclopropa[3,4]benzo[1,2-e]azulene-4aβ,7bα,9β,9aα-tetraol 9a-butanoate
Phorbol 13-butanoate
ホルボール13-ブタノアート
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