CAS: 904665-71-0; (R)-6-((S)-1-((7S,8S,9S,10R,13R,14S,17R)-7-Hydroxy-10,13-Dimethyl-1-Oxo-4,7,8,9,10,11,12,13,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-yl)Ethyl)-3-(Hydroxymethyl)-4-Methyl-5,6-Dihydro-2H-Pyran-2-One

• 英文名称(R)-6-((S)-1-((7S,8S,9S,10R,13R,14S,17R)-7-Hydroxy-10,13-Dimethyl-1-Oxo-4,7,8,9,10,11,12,13,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-17-yl)Ethyl)-3-(Hydroxymethyl)-4-Methyl-5,6-Dihydro-2H-Pyran-2-One
• 中文名称(R)-6-((S)-1-((7S,8S,9S,10R,13R,14S,17R)-7-羟基-10,13-二甲基-1-氧代-4,7,8,9,10,11,12,13,14,15,16,17-DO十氢-1H-H[A]菲-17-基)乙基)-3-(羟甲基)-4-甲基-5,6-二氢-2H-吡喃-2-酮
• IUPAC名称(R)-6-((S)-1-((7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
• 其它别名Daturataturin A Aglycone; (7Alpha,22R)-7,22,27-Trihydroxy-1-Oxoergosta-2,5,24-Trien-26-Oic Acid Delta-Lactone; Desglucodaturataturin A; Ergosta-2,5,24-Trien-26-Oic Acid, 7,22,27-Trihydroxy-1-Oxo-, δ-Lactone, (7α,22R)-; Daturataturinaaglycon
• CAS编号904665-71-0
• MFCD编号:MFCD20274950
• 分子式:C28H38O5分子量:454.61
• 产品CID: 1937548
• 产品分类天然产物 → 甾体化合物

• 相似结构搜索
• InChIKey: UKCDPEQADUKCDH-NQNHUYFBSA-N
• InChI=1S/C28H38O5/c1-15-12-23(33-26(32)18(15)14-29)16(2)19-8-9-20-25-21(10-11-27(19,20)3)28(4)17(13-22(25)30)6-5-7-24(28)31/h5,7,13,16,19-23,25,29-30H,6,8-12,14H2,1-4H3/t
• 计算化学: 氢键受体数5.0氢键供体数2.0可旋转键数3.0

物理性质

• 沸点659.7±55.0 °C(预测)
• 闪点218.6±25.0 °C
• 密度1.22±0.1 g/cm3(预测)
• pKa:13.66±0.10(预测)
• PSA:83.83
• LogP:4.1417

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

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905399001-1,3-丙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 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