CAS: 78012-28-9; (1S,3R,3Ar,3A1R,5Ar,6S,6Ar,9R,9As,11Ar,11Br)-9-(Furan-3-yl)-6-Hydroxy-3A,6A,9A,11B-Tetramethyl-1,2,3,3A,3A1,4,5A,6,6A,8,9,9A,10,11,11A,11B-Hexadecahydrocyclopenta[7,8]Phenanthro[10,1-Bc]Furan-1,3-Diyl Diacetate

• 英文名称(1S,3R,3Ar,3A1R,5Ar,6S,6Ar,9R,9As,11Ar,11Br)-9-(Furan-3-yl)-6-Hydroxy-3A,6A,9A,11B-Tetramethyl-1,2,3,3A,3A1,4,5A,6,6A,8,9,9A,10,11,11A,11B-Hexadecahydrocyclopenta[7,8]Phenanthro[10,1-Bc]Furan-1,3-Diyl Diacetate
• IUPAC名称(1S,3R,3aR,3a1R,5aR,6S,6aR,9R,9aS,11aR,11bR)-9-(furan-3-yl)-6-hydroxy-3a,6a,9a,11b-tetramethyl-1,2,3,3a,3a1,4,5a,6,6a,8,9,9a,10,11,11a,11b-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-1,3-diyl diacetate
• 其它别名1,3-Diacetylvilasinin; Diacetylvilasinin; 24-Norchola-5,14,20,22-Tetraeno[6,5,4-Bc]Furan-1,3,7-Triol, 21,23-Epoxy-4,5,5',6-Tetrahydro-4,8-Dimethyl-, 1,3-Diacetate, (1α,3α,4β,5α,6β,7α,13α,17α)-; 3-Diacetylvilasinin; 24-Norchola-5,14,20,22-Tetraeno[6,5,4-Bc]Furan-1,3,7-Triol, 21,23-Epoxy-4,5,5′,6-Tetrahydro-4,8-Dimethyl-, 1,3-Diacetate, (1α,3α,4β,5α,6β,7α,13α,17α)-
• CAS编号78012-28-9
• MFCD编号:MFCD23103714
• 分子式:C30H40O7分子量:512.64
• 产品CID: 1775392
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: WGBLBVXSYGYVPN-VQDQNZKNSA-N
• InChI=1S/C30H40O7/c1-16(31)36-22-13-23(37-17(2)32)30(6)21-9-11-27(3)19(18-10-12-34-14-18)7-8-20(27)29(21,5)26(33)24-25(30)28(22,4)15-35-24/h8,10,12,14,19,21-26,33H,7,9,11
• 计算化学: 氢键受体数7.0氢键供体数1.0可旋转键数5.0

物理性质

• 沸点574.6±50.0 °C(预测)
• 闪点301.3±30.1 °C
• 密度1.25±0.1 g/cm3(预测)
• pKa:13.61±0.70(预测)
• PSA:95.2
• LogP:4.7851
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末

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
  2905310000-1,2-乙二醇
• 💡 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