(3beta,4alpha,9beta,15alpha)-6,7-Diacetoxy-4,14,16,20-tetrahydroxy-15-{[(2R)-2-methylbutanoyl]oxy}-4,9-epoxycevan-3-yl (2S)-2-hydroxy-2-methylbutanoate（CAS番号：143-57-7）

(3β,4α,9β,15α)-6,7-ジエセトオキシ-4,14,16,20-トリヒドロキシ-15-{[(2R)-2-メチルブタンイル]オキシ}-4,9-エピコキシケバン-3-イル (2S)-2-ヒドロキシ-2-メチルブタン酸エステル

基本情報

編集器で閲覧

CAS番号

143-57-7

分子式

C41H63NO14

分子量

793.95 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

精密化学品界面活性剤アニオン性界面活性剤

重合体およびプラスチック熱可塑性プラスチックポリオレフィン

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

融点

270-271 ºC (dec.)

沸点

747.91°C (rough estimate)

溶解度

Insuluble (2.9E-3 g/L) (25 ºC),

屈折率

1.6220 (estimate)

比旋光度

D25 -40.5° (pyridine); D25 -10.5° (chloroform)

SMILES

編集器で閲覧

CCC(C)C(=O)OC1C(C2C(CN3CC(CCC3C2(C)O)C)C4C1(C5C(C(C6C7(C5(C4)OC6(C(CC7)OC(=O)C(C)(CC)O)O)C)OC(=O)C)OC(=O)C)O)O

InChI

InChI=1S/C41H63NO14/c1-10-20(4)34(46)55-33-28(45)27-23(18-42-17-19(3)12-13-25(42)38(27,9)49)24-16-39-32(40(24,33)50)30(53-22(6)44)29(52-21(5)43)31-36(39,7)15-14-26(41(31,51)56-39)54-35(47)37(8,48)11-2/h19-20,23-33,45,48-51H,10-18H2,1-9H3/t19-,20+,23-,24-,25-,26-,27+,28+,29-,30+,31-,32+,33-,36-,37-,38+,39+,40-,41+/m0/s1

InChIKey

HYTGGNIMZXFORS-MGYKWWNKSA-N

LogP

1.6072000000000033

トポロジカル極性表面積

218.81999999999996 Å²

水素結合ドナー/アクセプター

5 / 15

複雑度

1630

安全情報

安全情報を表示

危険物区分

Class 6.1(a) Class 6.1(a)

毒性

LD50 s.c. in male mice: 0.29 mg/kg (Tanaka)

同義語と引用データ

英語

Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(S),4alpha,6alpha,7alpha,15alpha(R),16beta)-
Puroverine
NSC 7526
4-21-00-06845 (Beilstein Handbook Reference)
UNII-XP343X1HJU
Protofecaterine A
Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3.beta.(S),4.alpha.,6.alpha.,7.alpha.,15.alpha.(R),16.beta.)-
Cevane-3,4,6,7,14,15,16,20-octol, 4,9-epoxy-, 6,7-diacetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (3beta(S),4alpha,6alpha,7alpha,15alpha(R),16beta)- (9CI)
Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-, 6,7-diacetate 3-[(2S)-2-hydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate], (3b,4a,6a,7a,15a,16b)-
DTXSID301009391
NSC-23865
Proveratrine A
NSC 23865
bmse000853
Cevane-3.beta.,6.alpha.,7.alpha.,14,15.alpha.,16.beta.,20-octol, 4,9-epoxy-, 6,7-diacetate 3-((+)-2-hydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)
Cevane-3,4,6,7,14,15,16,20-octol,4,9-epoxy-,6,7-diacetate 3-[(2S)-2-hydroxy-2-methylbutanoate]15-[(2R)-2-methylbutanoate],(3b,4a,6a,7a,15a,16b)-
(3beta(S),4alpha,6alpha,7alpha,15alpha(R),16beta)-4,9-Epoxycevane-3,4,6,7,14,15,16,20-octol 6,7-diacetate 3-(2-hydroxy-2-methylbutyrate) 15-(2-methylbutyrate)
143-57-7
NSC-7526
PROTOVERATRINE A [MI]
(3.BETA.(S),4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.(R),16.BETA.)-4,9-EPOXYCEVANE-3,4,6,7,14,15,16,20-OCTOL 6,7-DIACETATE 3-(2-HYDROXY-2-METHYLBUTANOATE) 15-(2-METHYLBUTANOATE)
Protalba
Cevane-3beta,4beta,6alpha,7alpha,14,15alpha,16beta,20-octol, 4,9-epoxy-, 6,7-diacetate 3-((+)-2-hydroxy-2-methylbutyrate) 15-((-)-2-methylbutyrate)
NS00008506
PROTOVERATRINE A [WHO-DD]
protoveratrine A
MFCD00135586
[diacetoxy-tetrahydroxy-trimethyl-[(2R)-2-methylbutanoyl]oxy-[?]yl] (2S)-2-hydroxy-2-methyl-butanoate
CEVANE-3,4,6,7,14,15,16,20-OCTOL, 4,9-EPOXY-, 6,7-DIACETATE 3-((2S)-2-HYDROXY-2-METHYLBUTANOATE) 15-((2R)-2-METHYLBUTANOATE), (3.BETA.,4.ALPHA.,6.ALPHA.,7.ALPHA.,15.ALPHA.,16.BETA.)-
PROTOVERINE 3-((+)-(2S)-2-HYDROXY-2-METHYLBUTYRATE) 6,7-DIACETATE 15-((-)-(2R)-2-METHYLBUTYRATE)
Protoveratrine