CAS: 97399-96-7; 9-((5-Hydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-2A,6B-Dimethyl-1,2A,2A1,5,6,6A,6B,7,8,9,10,12,12A,14A-Tetradecahydro-13H-2,3,14-Trioxapentaleno[1',6':5,6,7]Cyclonona[1,2-A]Naphthalen-13-One

• 英文名称9-((5-Hydroxy-4-Methoxy-6-Methyltetrahydro-2H-Pyran-2-yl)Oxy)-2A,6B-Dimethyl-1,2A,2A1,5,6,6A,6B,7,8,9,10,12,12A,14A-Tetradecahydro-13H-2,3,14-Trioxapentaleno[1',6':5,6,7]Cyclonona[1,2-A]Naphthalen-13-One
• 中文名称白薇甙 A
• IUPAC名称9-((5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2a,6b-dimethyl-1,2a,2a1,5,6,6a,6b,7,8,9,10,12,12a,14a-tetradecahydro-13H-2,3,14-trioxapentaleno[1',6':5,6,7]cyclonona[1,2-a]naphthalen-13-one
• 其它别名Cynatratoside A; Glaucogenin-C 3-O-β-D-Oleandropyranoside; 6H-2,3,5-Trioxapentaleno[1',6':5,6,7]Cyclonona[1,2-A]Naphthalen-6-One, 10-[(2,6-Dideoxy-3-O-Methyl-β-D-Arabino-Hexopyranosyl)Oxy]-2A,4,4A,6A,7,9,10,11,12,12A,12B,13,14,14B-Tetradecahydro-2A,12A-Dimethyl-, (2Ar,4As,6Ar,10S,12Ar,12Bs,14Br)-
• CAS编号97399-96-7
• MFCD编号:MFCD28100614
• 分子式:C28H40O8分子量:504.62
• 产品CID: 2021284
• 产品分类天然产物 → 甾体化合物

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: QANVGLGBLJFUIP-UHFFFAOYNA-N
• InChI=1S/C28H40O8/c1-15-25(29)21(31-4)12-23(34-15)35-18-9-10-27(2)17(11-18)6-7-19-20(27)8-5-16-13-32-28(3)24(16)22(14-33-28)36-26(19)30/h6,13,15,18-25,29H,5,7-12,14H2,1-4
• 计算化学: 氢键受体数8.0氢键供体数1.0可旋转键数3.0

物理性质

• 熔点237-239°C (methanol chloroform )
• 沸点676.5±55.0 °C(预测)
• 闪点222 °C
• 密度1.27±0.1 g/cm3(预测)
• pKa:13.55±0.70(预测)
• PSA:92.68
• LogP:3.6174
• 折射率1.572
• 外观形态白色至类白色固体

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
• 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
  2905310000-1,2-乙二醇
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• 详情请参考：📖 海关编码查询和海关进出口税则

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
• ➥ Globally Harmonized System
• ➥ REACH监管