CAS: 81263-96-9; (2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl (4R,4As,6Ar,9R,11Ar,11Br)-11A-Hydroxy-4,11B-Dimethyl-8-Methylene-7-Oxotetradecahydro-6A,9-Methanocyclohepta[a]Naphthalene-4-Carboxylate

• 英文名称(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl (4R,4As,6Ar,9R,11Ar,11Br)-11A-Hydroxy-4,11B-Dimethyl-8-Methylene-7-Oxotetradecahydro-6A,9-Methanocyclohepta[a]Naphthalene-4-Carboxylate
• 中文名称等效-9-羟基-15-氧代-16-贝壳杉烯-19-酸 β-D-吡喃葡萄糖酯
• IUPAC名称(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (4R,4aS,6aR,9R,11aR,11bR)-11a-hydroxy-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate
• 其它别名Ent-9-Hydroxy-15-Oxokaur-16-En-19-Oic Acid Beta-D-Glucopyranosyl Ester; Ent-9-Hydroxy-15-Oxo-16-Kauren-19-Oic Acid Beta-D-Glucopyrasyl Ester; Ent-9-Hydroxy-15-Oxo-16-Kauren-19-Oic Acid Beta-D-Glucopyranosyl Ester; Ent-9-Hydroxy-15-Oxokaur-16-En-19-Oic Acid β-D-Glucopyranosyl Ester; Kaur-16-En-18-Oic Acid, 9-Hydroxy-15-Oxo-, β-D-Glucopyranosyl Ester, (4α)- (9Ci); Ent-9-Hydroxy-15-Oxokaur-16-En-19-Oic Acid β-D-Glucopyranosyl Ester; 1-O-[(5β,8α,9β,10α,13α)-9-Hydroxy-15,18-Dioxokaur-16-En-18-Yl]-β-D-Glucopyranose
• CAS编号81263-96-9
• MFCD编号:MFCD20260836
• 分子式:C26H38O9分子量:494.58
• 产品CID: 1806616
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: PKAGWWDWHSCPAS-TULSSYLPSA-N
• InChI=1S/C26H38O9/c1-13-14-5-10-26(33)24(3)8-4-7-23(2,16(24)6-9-25(26,11-14)20(13)31)22(32)35-21-19(30)18(29)17(28)15(12-27)34-21/h14-19,21,27-30,33H,1,4-12H2,2-3H3/t14-,
• 计算化学: 氢键受体数9.0氢键供体数5.0可旋转键数4.0

物理性质

• 沸点670.4±55.0 °C at 760 mmHg
• 闪点221.9±25.0 °C
• 密度1.4±0.1 g/cm3
• pKa:12.51±0.70(预测)
• PSA:153.75
• LogP:1.79
• 折射率1.612
• 蒸汽压0.0±4.6 mmHg at 25°C
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭

MSDS等安全信息

• 危险描述H303 May be harmful if swallowed+H313 Skin contact may be harmful+H333 Inhalation may be harmful to the body
• 防范说明P264+P280+P305+P351+P338+P337+P313
• 危险品标志Xi
• 安全声明H303+H313+H333

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海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905143000-叔丁醇
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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管