85925-13-9 ((methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate)

结构式：

methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylateMOL文件

CAS号：

85925-13-9

英文名称：

methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate

分子式：

C₂₁H₂₄N₂O₄

分子量：

368.426265716553

methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate(85925-13-9)名称与标识符

名称

英文别名：

methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate;methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxylate;Strictosidine aglycone;methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-{[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl}-3,4-dihydro-2H-pyran-5-carboxylate;C03309;Q27102207;strictosidine aglycon;DTXSID70331459;CHEBI:17096;SCHEMBL23675917;85925-13-9;

标识符

InChIKey：

HXLWDALZXJIPSY-LPIRWUFSSA-N

Inchi：

1S/C21H24N2O4/c1-3-12-15(16(20(24)26-2)11-27-21(12)25)10-18-19-14(8-9-22-18)13-6-4-5-7-17(13)23-19/h3-7,11-12,15,18,21-23,25H,1,8-10H2,2H3/t12-,15+,18+,21-/m1/s1

SMILES：

O1C=C(C(=O)OC)[C@H]([C@@H](C=C)[C@@H]1O)C[C@H]1C2=C(C3C=CC=CC=3N2)CCN1

methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate(85925-13-9)物化性质

计算特性

精确分子量 : 368.17360725g/mol
氢键供体数量 : 3
氢键受体数量 : 5
可旋转化学键数量 : 5
同位素质量 : 368.17360725g/mol
重原子数量 : 27
复杂度 : 607
同位素原子数量 : 0
确定原子立构中心数量 : 4
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） : 2.2
拓扑分子极性表面积 : 83.6Å²

methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate(85925-13-9)相关文献

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960化工网为您提供methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.85925-13-9,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:85925-13-9 国际站:85925-13-9

85925-13-9 ((methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate)

methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate(85925-13-9)名称与标识符

名称

标识符

methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate(85925-13-9)物化性质

计算特性

methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate(85925-13-9)相关文献

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