(1S,10S,22R,23R,24S)-15-Hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.0~1,24~.0~6,22~.0~10,23~.0~14,19~]tetracosa-6,14,16,18-tetraene-12,20-dione（CAS番号：125-15-5）

(1S,10S,22R,23R,24S)-15-Hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.0~1,24~.0~6,22~.0~10,23~.0~14,19~]tetracosa-6,14,16,18-tetraene-12,20-dione

基本情報

編集器で閲覧

CAS番号

125-15-5

分子式

C22H24N2O4

分子量

380.44 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

基本的な物理特性

物理状態

Powder

融点

286-290 ºC (dec.)

沸点

508.07°C (rough estimate)

屈折率

1.6500 (estimate)

比旋光度

D22 +80° (c = 0.5 in alc)

SMILES

編集器で閲覧

CN1CCC23C4C5C(CC2=O)C(=CCOC5CC(=O)N4C6=C3C=CC=C6O)C1

InChI

InChI=1S/C22H24N2O4/c1-23-7-6-22-14-3-2-4-15(25)20(14)24-18(27)10-16-19(21(22)24)13(9-17(22)26)12(11-23)5-8-28-16/h2-5,13,16,19,21,25H,6-11H2,1H3/t13-,16-,19-,21-,22+/m0/s1

InChIKey

ZMTYENXGROJCEA-LNKPQSDASA-N

LogP

1.6148

トポロジカル極性表面積

70.08 Å²

水素結合ドナー/アクセプター

1 / 6

複雑度

766

同義語と引用データ

英語

MS-26224
(4AR,6AS,13AS,13BR,13CS)-4A,5,13,13A,13B,13C-HEXAHYDRO-10-HYDROXY-16-METHYL-12H-6A,4-(ETHANIMINOMETHANO)INDOLO(3,2,1-IJ)OXEPINO(2,3,4-DE)QUINOLINE-6,12(2H)-DIONE
2H-6a,4-(Ethaniminomethano)indolo(3,2,1-i)oxepino(2,3,4-de)quinoline-6,12(2H)-dione, 4a,5,13,13a,13b,13c-hedahydro-10-hydroxy-16-methyl-, (4aR-(4aR*,6aS*,13aS*,13bR*,13cS*))-
Vomicine
Vomicin
CHEBI:10019
CHEMBL2164625
HY-N2616
AC-34199
12H-6a,4-(Ethaniminomethano)indolo[3,2,1-ij]oxepino[2,3,4-de]quinoline-6,12(2H)-dione, 4a,5,13,13a,13b,13c-hexahydro-10-hydroxy-16-methyl-, (4aR,6aS,13aS,13bR,13cS)-
12H-6a,4-(Ethaniminomethano)indolo(3,2,1-i)oxepino(2,3,4-de)quinoline-6,12(2H)-dione, 4a,5,13,13a,13b,13c-hedahydro-10-hydroxy-16-methyl-, (4aR,6aS,13aS,13bR,13cS)-
125-15-5
DTXSID30154540
16,19-Secostrychnidine-10,16-dione, 4-hydroxy-19-methyl-
VOMICINE [MI]
CS-0023019
12H-6A,4-(ETHANIMINOMETHANO)INDOLO(3,2,1-IJ)OXEPINO(2,3,4-DE)QUINOLINE-6,12(2H)-DIONE, 4A,5,13,13A,13B,13C-HEXAHYDRO-10-HYDROXY-16-METHYL-, (4AR,6AS,13AS,13BR,13CS)-
(1S,10S,22R,23R,24S)-15-hydroxy-4-methyl-9-oxa-4,13-diazahexacyclo[11.6.5.01,24.06,22.010,23.014,19]tetracosa-6,14(19),15,17-tetraene-12,20-dione
4R9445MB8M
UNII-4R9445MB8M
AKOS032949106
Q27108554
4-Hydroxy-19-methyl-16,19-secostrychnidine-10,16-dione
Strychnicine
SCHEMBL3371643
C09255
12H-6a,4-(Ethaniminomethano)indolo[3,2,1-ij]oxepino[2,3,4-de]quinoline-6,12(2H)-dione,4a,5,13,13a,13b,13c-hexahydro-10-hydroxy-16-methyl-, (4aR,6aS,13aS,13bR,13cS)-
12H-6a,4-(Ethaniminomethano)indolo[3,2,1-ij]oxepino[2,3,4-de]quinoline-6,12(2H)-dione,4a,5,13,...
12H-6a,4-(Ethaniminomethano)indolo[3,2,1-ij]oxepino[2,3,4-de]quinoline-6,12(2H)-dione,4a,5,13,13a,13b,13c-hexahydro-10-hydrox
12-Hydroxy-N-methylpseudostrychnine
16,19-Secostrychnidine-10,16-dione,4-hydroxy-19-methyl