97411-46-6 ((6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione,(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione)

快速询单

结构式：

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dioneMOL文件

CAS号：

97411-46-6

中文名称：

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione

英文名称：

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione

分子式：

C₁₈H₁₆O₅

分子量：

312.316645622253

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(97411-46-6)名称与标识符

名称

中文别名：

丹参二醇 A;

英文别名：

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione;Tanshindiol A;(6R)-6,7,8,9-Tetrahydro-6-hydroxy-6-(hydroxymethyl)-1-methyl-phenanthro[1,2-b]furan-10,11-dione;(+)-Tanshindiol A;(6R)-6,7,8,9-Tetrahydro-6-hydroxy-6-(hydroxymethyl)-1-methylphenanthro[1,2-b]furan-10,11-dione (ACI);Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-6-hydroxy-6-(hydroxymethyl)-1-methyl-, (R)- (ZCI);(6R)-6-Hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione;Tanshinodiol A;(6s)-6-hydroxy-1-methyl-6-methylol-8,9-dihydro-7h-naphtho[8,7-g]benzofuran-10,11quinone;FS-7540;SCHEMBL14417696;TANSHINDIOL-A;(6S)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione;SD0UYM2CKH;97411-46-6;(6S)-6-HYDROXY-6-(HYDROXYMETHYL)-1-METHYL-7H,8H,9H-PHENANTHRO[1,2-B]FURAN-10,11-DIONE;(6S)-6-hydroxy-6-(hydroxymethyl)-1-methyl-8,9-dihydro-7H-naphtho(1,2-g)(1)benzofuran-10,11-dione;DA-58271;

标识符

InChIKey：

TZHMQUSSYNZSTA-SFHVURJKSA-N

Inchi：

1S/C18H16O5/c1-9-7-23-17-11-4-5-12-10(3-2-6-18(12,22)8-19)14(11)16(21)15(20)13(9)17/h4-5,7,19,22H,2-3,6,8H2,1H3/t18-/m0/s1

SMILES：

O=C1C(=O)C2C(=COC=2C2C=CC3[C@@](O)(CO)CCCC=3C1=2)C

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(97411-46-6)物化性质

实验特性

溶解度 : Very 微溶 (0.17 g/L) (25 ºC),
颜色与性状 : Red powder
密度 : 1.426±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 312.09977361g/mol
氢键供体数量 : 2
氢键受体数量 : 5
可旋转化学键数量 : 1
同位素质量 : 312.09977361g/mol
重原子数量 : 23
复杂度 : 532
同位素原子数量 : 0
确定原子立构中心数量 : 1
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.1
拓扑分子极性表面积 : 87.7Å²

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(97411-46-6)推荐厂家更多厂家(16)

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(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(97411-46-6)合成路线

合成路线：1 步

143076-46-4

_66%

97411-46-6

反应条件：

1.1 Reagents: Boron trichloride Solvents: Dichloromethane

参考文献：

Asymmetric synthesis of tanshindiol A.

Lee, Junning; Li, Jiahe; Oya, Shunichi; Snyder, John K., Journal of Organic Chemistry, 1992, 57(20), 5301-12

合成路线：1 步

138200-51-8

97411-46-6

参考文献：

Dibenzoyl peroxide

RajanBabu, T. V.; Gagosz, Fabien, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2005, , 1-11

801-72-9(5,6-Epoxy-5,6-dihydroretinol acetate) 801303-33-3(N-甲氧基-N-甲基4-溴-2-氟苯甲酰胺) 801992-53-0(2,3-DIHYDRO-6,N-DIMETHYL-1H-INDEN-1-AMINE) 79516-59-9((S)-3-羟基戊酸) 79600-87-6(4-phenyl-1H-pyrrole-2-carboxylic acid) 8015-96-1(肉桂油) 80240-38-6(4-(3-氯苯基)-2,4-二氢-3H-1,2,4-三唑-3-酮) 80235-10-5(2-羟基-4-(羟基甲基)苯甲酸甲酯)

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97411-46-6 ((6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione,(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione)

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(97411-46-6)名称与标识符

名称

标识符

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(97411-46-6)物化性质

实验特性

计算特性

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(97411-46-6)推荐厂家 更多厂家(16)

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(97411-46-6)合成路线

目录

(6S)-6,7,8,9-Tetrahydro-6-hydroxy-6-hydroxymethyl-1-methylphenanthro[1,2-b]furan-10,11-dione(97411-46-6)推荐厂家更多厂家(16)