2'-Acetyltaxol（CAS番号：92950-40-8）

2'-Acetyltaxol

基本情報

編集器で閲覧

CAS番号

92950-40-8

分子式

C49H53NO15

分子量

895.94 g/mol

化学分類

基礎化学原料有機化学品カルボン酸類

基礎化学原料有機化学品ケトン類

基礎化学原料有機化学品エステル類

基礎化学原料有機化学品エーテル類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品染料および顔料有機染料

精密化学品界面活性剤アニオン性界面活性剤

実験室化学品研究用化学品生化学試薬

基本的な物理特性

SMILES

編集器で閲覧

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

InChI

InChI=1S/C49H53NO15/c1-26-33(63-45(58)39(62-28(3)52)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,34(54)23-35-48(40,25-60-35)65-29(4)53)41(55)38(61-27(2)51)36(26)46(49,5)6/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)

InChIKey

IHVCSECZNFZVKP-UHFFFAOYSA-N

LogP

4.306500000000003

トポロジカル極性表面積

227.35999999999996 Å²

水素結合ドナー/アクセプター

3 / 16

複雑度

1910

同義語と引用データ

英語

Benzenepropanoic acid, a-(acetyloxy)-b-(benzoylamino)-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-
2'-ACETYLTAXOL
ACETYLTAXOL, 2'-(SH)
Benzenepropanoic acid, a-(acetyloxy)-b-(benzoylamino)-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,...
Benzenepropanoic acid, a-(acetyloxy)-b-(benzoylamino)-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoylo
2',10-diacetyltaxane
2'-acetylpaclitaxel
2'-O-acetyl-paclitaxel
2'-O-Acetyltaxol
ACETYLTAXOL,2'
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv. (ZCI)
Benzenepropanoic acid, α-(acetyloxy)-β-(benzoylamino)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]- (ZCI)
2′-Acetylpaclitaxel
2′-Acetyltaxol
Paclitaxel-2′-acetate
92950-40-8
2a(2)-Acetyltaxol
Benzenepropanoic acid, alpha-(acetyloxy)-beta-(benzoylamino)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR
Benzenepropanoic acid, alpha-(acetyloxy)-beta-(benzoylamino)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR)
DTXSID001317325
2'-Acetyltaxol
Taxol 2'-acetate
SCHEMBL15381848
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CHEMBL302351