[(E)-3-フェニル-2-プロペニル]β-D-グルコピラノシド

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol

HCID 5280656CAS 85026-55-7

基本情報

標準SMILES
OC[C@H]1O[C@@H](OC/C=C/c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
KHPCPRHQVVSZAH-GUNCLKARSA-N
分子式
C15H20O6
平均分子量
296.31 g/mol
単同位体質量
296.12598836

概要

rosin X has been reported in Rhodiola crenulata, Rhodiola sachalinensis, and other organisms with data available.

名称と識別子

優先名称
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
IUPAC
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triol
現地名
[(E)-3-フェニル-2-プロペニル]β-D-グルコピラノシド
英語名
Rosin
分子式
C15H20O6
分子量
296.32

名称と別名

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(E)-3-phenylprop-2-enoxy]oxane-3,4,5-triolROSIN X(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-((E)-3-phenylprop-2-enoxy)oxane-3,4,5-triolRefChem:397577875-664-585026-55-7ROSIN (CHEMICAL)SVS3GU8AY8(2E)-3-phenylprop-2-en-1-yl beta-D-glucopyranoside3-Phenyl-2-propenylbeta-D-glucopyranosideMFCD2310337369306-80-5
名称をさらに表示
(E)-シンナミルβ-D-グルコピラノシドロシン[(2E)-3-フェニル-2-プロペニル]β-D-グルコピラノシドロシン【グリコシド】[(E)-3-フェニル-2-プロペニル]β-D-グルコピラノシドtrans-シンナミルβ-D-グルコピラノシドシンナミルβ-D-グルコピラノシド水添ロジン(2R,3S,4S,5R,6R)-2-(ヒドロキシメチル)-6-{[(2E)-3-フェニルプロパ-2-エン-1-イル]オキシ}オキサン-3,4,5-トリオールCOLOPHONYRosin resinCOLOPHONIUMHYDROGENATED ROSINPOLYMERIZED ROSINWOOD ROSINSTAYBELITE RESINColophony (Rosin)ROSIN WW
(2E)-3-Phenyl-2-propen-1-yl beta-D-glucopyranosideRosin (Standard)CHINESE ROSIN WUNII-SVS3GU8AY8ROSIN (GLYCOSIDE)beta-D-Glucopyranoside,(2E)-3-phenyl-2-propenylbeta-D-Glucopyranoside, 3-phenyl-2-propenyl, (E)-orb1220275

データベース識別子

CAS
85026-55-7
PubChem CID
5280656
DTXSID
DTXSID60904535
ChEMBL
CHEMBL4175856
UNII
SVS3GU8AY8
EC Number
875-664-5
Nikkaji
J2.573.236G、J430.836K

物性

構造計算による物性

XLogP
-0.1
極性表面積
99.4 Ų
水素結合供与体数
4
水素結合受容体数
6
回転可能結合数
5
重原子数
21

物理化学的性質

融点
75 · 75-81 °C
沸点
542.4 · 542.4±50.0 °C(Predicted)
比重(密度)
1.36 · 1.36
闪点
180 °C · 180 °C
貯蔵温度
2 · 2-8°C
溶解性
0.1 g/mL、透明、強い黄色 · クロロホルム: 0.1 g/mL、透明、強い黄色

安全と法規制

GHS分類

GHS ClassificationNot Classified

危険有害性情報

Hazard Classes and CategoriesNot Classified

安全データ

F
10-21
wgk
1
rtecs
VL0480000
hs_code
38061010
risk_code
43
hazard_code
Xi

化学と産業

応用分野 · 1 件

一般的な説明Rosin, formerly called colophony, is a solid form of resin obtained from several pine trees extensively found in Asia, Europe and North America and to a lesser extent from other conifers conifers. It is prepared by cutting a long slice in the tree to allow exudation and to collect the liquid resin in containers. Afterwards the liquid resin is steam heated to remove volatile terpene and turpentine and leaving gum rosin as residue. It is semi-transparent and varies in color from yellow to black. It chiefly consists of different organic acids, among those abietic acid (C19H29COOH) is the most important. Rosin is a brittle and friable resin, with a faint piney odor; the melting-point varies with different specimens, some being semi-fluid at the temperature of boiling water, while others melt between 100°C to 120°C. It is very flammable, burning with a smoky flame. It is soluble in alcohol, ether, benzene and chloroform. Rosin combines with caustic alkalis to yield salts called rosinates or pinates that are known as rosin soaps. In addition to its extensive use in soap making, rosin is largely employed in making inferior varnishes, sealing-wax and various adhesives.

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