7-Xylosyl-10-deacetyltaxol B（CAS番号：90332-64-2）

7-Xylosyl-10-deacetyltaxol B

基本情報

編集器で閲覧

CAS番号

90332-64-2

分子式

C48H59NO17

分子量

921.99 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

物理状態

Powder

密度

1.43±0.1 g/cm3 (20 ºC 760 Torr),

溶解度

Insuluble (1.1E-3 g/L) (25 ºC),

SMILES

編集器で閲覧

CC=C(C)C(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)OC6C(C(C(CO6)O)O)O)(C(=O)C(C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O

InChI

InChI=1S/C48H59NO17/c1-8-23(2)41(57)49-33(26-15-11-9-12-16-26)36(54)43(59)63-29-20-48(60)40(65-42(58)27-17-13-10-14-18-27)38-46(7,39(56)35(53)32(24(29)3)45(48,5)6)30(19-31-47(38,22-62-31)66-25(4)50)64-44-37(55)34(52)28(51)21-61-44/h8-18,28-31,33-38,40,44,51-55,60H,19-22H2,1-7H3,(H,49,57)/b23-8+/t28-,29-,30-,31+,33-,34-,35+,36+,37+,38-,40-,44-,46+,47-,48+/m0/s1

InChIKey

YAOWLIDDDUBAEI-LWKZJDLTSA-N

LogP

1.280600000000002

トポロジカル極性表面積

274.13999999999993 Å²

水素結合ドナー/アクセプター

7 / 18

複雑度

1940

同義語と引用データ

英語

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-6,11-dihydroxy-9-(((2R,3S)-2-hydroxy-3-((E)-2-methylbut-2-enamido)-3-phenylpropanoyl)oxy)-4a,8,13,13-tetramethyl-5-oxo-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
7-Xylosyl-10-deacetyltaxol B
10-Deacetyl-7-xylosyltaxol B
10-Deacetylcephalomannine 7-xyloside
7-Xylosyl-10-deacetylcephalomannine
[ "7-Xylosyl-10-deacetylcephalomannine" ]
(2α,5β,7β,10β,13α)-4-Acetoxy-1,10-dihydroxy-13-{[(2R,3S)-2-hydroxy-3-{[(2E)-2-methyl-2-butenoyl]amin
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv. (ZCI)
Benzenepropanoic acid, α-hydroxy-β-[(2-methyl-1-oxo-2-butenyl)amino]-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9a[αR*,βS*(E)],11α,12α,12aα,12bα]]- (ZCI)
Benzenepropanoic acid, α-hydroxy-β-[[(2E)-2-methyl-1-oxo-2-butenyl]amino]-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (αR,βS)- (9CI)
10-Deacetyl-7-xylosylcephalomannine
7-β-Xylosyl-10-deacetylcephalomannine
CHEMBL3398370
DTXSID601309623
AKOS040760248
HY-N7776
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
CS-0137310
YAOWLIDDDUBAEI-ZVZSAYPQSA-N
90332-64-2
DA-49990
7-xylosyl-10-deacetyl-taxol B
DEACETYL-7-XYLOSYLCEPHALOMANNINE, 10-(RG)