CAS: 90851-50-6; (1S,2R,4As,5R,8As)-5-((E)-5-Hydroxy-3-Methylpent-3-En-1-yl)-1-(Hydroxymethyl)-1,4A-Dimethyl-6-Methylenedecahydronaphthalen-2-Ol

• 英文名称(1S,2R,4As,5R,8As)-5-((E)-5-Hydroxy-3-Methylpent-3-En-1-yl)-1-(Hydroxymethyl)-1,4A-Dimethyl-6-Methylenedecahydronaphthalen-2-Ol
• 中文名称[1S-[1α,2β,4aβ,5β(E),8aα]]-十氢-2-羟基-5-(5-羟基-3-甲基-3-戊烯基)-1,4a-二甲基-6-亚甲基-1-萘甲醇
• IUPAC名称(1S,2R,4aS,5R,8aS)-5-((E)-5-hydroxy-3-methylpent-3-en-1-yl)-1-(hydroxymethyl)-1,4a-dimethyl-6-methylenedecahydronaphthalen-2-ol
• 其它别名Ent-Labda-8(17),13E-Diene-3β,15,18-Triol; [1S-[1Alpha,2Beta,4Abeta,5Beta(E),8Aalpha]]-Decahydro-2-Hydroxy-5-(5-Hydroxy-3-Methyl-3-Pentenyl)-1,4A-Dimethyl-6-Methylene-1-Naphthalenemethanol; Ent-Labda-8(17),13E-Diene-3Beta,15,18-Triol; Ent-Labda-8(17),13E-Diene-3β,15,18-Triol; 1-Naphthalenemethanol, Decahydro-2-Hydroxy-5-(5-Hydroxy-3-Methyl-3-Pentenyl)-1,4A-Dimethyl-6-Methylene-, [1S-[1α,2β,4Aβ,5β(E),8Aα]]- (9Ci)
• CAS编号90851-50-6
• MFCD编号:MFCD28385998
• 分子式:C20H34O3分子量:322.49
• 产品CID: 1942384
• 产品分类天然产物 → 萜类

• 相似结构搜索
• InChIKey: LYPOGFXAKORPQZ-GZGHINKLSA-N
• InChI=1S/C20H34O3/c1-14(10-12-21)5-7-16-15(2)6-8-17-19(16,3)11-9-18(23)20(17,4)13-22/h10,16-18,21-23H,2,5-9,11-13H2,1,3-4H3/b14-10+/t16-,17+,18-,19+,20-/m1/s1
• 计算化学: 氢键受体数3.0氢键供体数3.0可旋转键数5.0

物理性质

• 沸点457.2±45.0 °C(预测)
• 闪点201.5±23.3 °C
• 密度1.06±0.1 g/cm3(预测)
• pKa:14.44±0.10(预测)
• PSA:60.69
• LogP:3.9

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

上下游产品

合成工艺路线路线简述

• 合成目标产物 Ent-Labda-8(17),13E-Diene-3β,15,18-Triol 主要起始原料 β-D-Glucopyranoside, [(1S,2R,4As,5R,8As)-Decahydro-2-Hydroxy-5-[(3E)-5-Hydroxy-3-Methyl-3-Penten-1-Yl]-1,4A-Dimethyl-6-Methylene-1-Naphthalenyl]Methyl 6-O-α-L-Arabinofuranosyl-
• (文献来源)合成步骤主要原料 β-D-Glucopyranoside, [(1S,2R,4As,5R,8As)-Decahydro-2-Hydroxy-5-[(3E)-5-Hydroxy-3-Methyl-3-Penten-1-Yl]-1,4A-Dimethyl-6-Methylene-1-Naphthalenyl]Methyl 6-O-α-L-Arabinofuranosyl-

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