ent-6'ξ(or 7'ξ)-acetoxy-7β,21-epoxy-6'α(or 7'α)-hydroxy-2,3-didehydro-(7βC4'',3'β)-3',4''-dihydro-2'H-spiro[aspidospermidine-7,5''-pyrido[1',2',3':1,2,3]aspidospermidine]-3-carboxylic acid methyl ester | 31947-70-3

分子结构分类

有机化合物 - 生物碱及其衍生物 - 冬青素型生物碱

中文名称

——

中文别名

——

英文名称

ent-6'ξ(or 7'ξ)-acetoxy-7β,21-epoxy-6'α(or 7'α)-hydroxy-2,3-didehydro-(7βC4'',3'β)-3',4''-dihydro-2'H-spiro[aspidospermidine-7,5''-pyrido[1',2',3':1,2,3]aspidospermidine]-3-carboxylic acid methyl ester

英文别名

Acetoisovoafolin；Acetovoafolin；ent-6'ξ(or 7'ξ)-acetoxy-7β,21-epoxy-6'α(or 7'α)-hydroxy-2,3-didehydro-(7βC^4'',3'β)-3',4''-dihydro-2'H-spiro[aspidospermidine-7,5''-pyrido[1',2',3':1,2,3]aspidospermidine]-3-carboxylic acid methyl ester

ent-6'ξ(or 7'ξ)-acetoxy-7β,21-epoxy-6'α(or 7'α)-hydroxy-2,3-didehydro-(7βC4'',3'β)-3',4''-dihydro-2'H-spiro[aspidospermidine-7,5''-pyrido[1',2',3':1,2,3]aspidospermidine]-3-carboxylic acid methyl ester化学式

CAS

31947-70-3

化学式

C₄₄H₅₂N₄O₆

mdl

——

分子量

732.92

InChiKey

YBPPICONWWMARG-FHAXTFLUSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.36
重原子数：

54.0
可旋转键数：

3.0
环数：

12.0
sp3杂化的碳原子比例：

0.64
拓扑面积：

103.81
氢给体数：

2.0
氢受体数：

10.0

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
——	Voafolin	——	C₄₂H₄₈N₄O₄	672.868

反应信息

作为产物：

描述：

溶剂黄146 、 Voafolin 生成 ent-6'ξ(or 7'ξ)-acetoxy-7β,21-epoxy-6'α(or 7'α)-hydroxy-2,3-didehydro-(7βC4'',3'β)-3',4''-dihydro-2'H-spiro[aspidospermidine-7,5''-pyrido[1',2',3':1,2,3]aspidospermidine]-3-carboxylic acid methyl ester

参考文献：

名称：

Kunesch,N. et al., Bulletin de la Societe Chimique de France, 1970, p. 4370 - 4375

摘要：

DOI：

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