CAS: 81263-98-1; (2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl (4R,4As,5R,6As,9R,11Ar,11Br)-5,11A-Dihydroxy-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,5R,6As,9R,11Ar,11Br)-5,11A-Dihydroxy-4,11B-Dimethyl-8-Methylene-7-Oxotetradecahydro-6A,9-Methanocyclohepta[a]Naphthalene-4-Carboxylate
• 中文名称等效-6,9-二羟基-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,5R,6aS,9R,11aR,11bR)-5,11a-dihydroxy-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylate
• 其它别名Ent-6,9-Dihydroxy-15-Oxo-16-Kauren-19-Oic Acid Beta-D-Glucopyrasyl Ester; Ent-6,9-Dihydroxy-15-Oxo-16-Kauren-19-Oic Acid Beta-D-Glucopyranosyl Ester; Ent-6,9-Dihydroxy-15-Oxokaur-16-En-19-Oic Acid β-D-Glucopyranosyl Ester; Ent-6,9-Dihydroxy-15-Oxokaur-16-En-19-Oic Acid Beta-D-Glucopyranosyl Ester; Ent-6,9-Dihydroxy-15-Oxokaur-16-; Kaur-16-En-18-Oic Acid, 6,9-Dihydroxy-15-Oxo-, β-D-Glucopyranosyl Ester, (4α,6β)- (9Ci); Ent-6α,9α-Dihydroxy-15-Oxokaur-16-En-19-Oic Acid β-D-Glucopyranosyl Ester; 1-O-[(5β,6β,8α,9β,10α,13α)-6,9-Dihydroxy-15,18-Dioxokaur-16-En-18-Yl]-β-D-Glucopyranose
• CAS编号81263-98-1
• MFCD编号:MFCD20274654
• 分子式:C26H38O10分子量:510.58
• 产品CID: 1806620
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;
• InChIKey: NRUSGLWZCNYPPQ-OGJNIKTMSA-N
• InChI=1S/C26H38O10/c1-12-13-5-8-26(34)24(3)7-4-6-23(2,19(24)14(28)10-25(26,9-13)20(12)32)22(33)36-21-18(31)17(30)16(29)15(11-27)35-21/h13-19,21,27-31,34H,1,4-11H2,2-3H3/t
• 计算化学: 氢键受体数10.0氢键供体数6.0可旋转键数4.0

物理性质

• 沸点707.4±60.0 °C at 760 mmHg
• 闪点234.7±26.4 °C
• 密度1.5±0.1 g/cm3
• pKa:12.51±0.70(预测)
• PSA:173.98
• LogP:0.96
• 折射率1.626
• 蒸汽压0.0±5.1 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