CAS: 53755-77-4; (3S,4R,4Ar,6As,9Ar,11R,13Ar,13Bs,15As,15Br)-3,11-Dihydroxy-4,6A,10,10,13A,15B-Hexamethyl-2,3,4,4A,5,6,6A,7,9,9A,10,11,12,13,13A,13B,14,15,15A,15B-Icosahydro-1H-Cyclohepta[1,2-A:5,4-A']Dinaphthalene-4-Carboxylic Acid

• 英文名称(3S,4R,4Ar,6As,9Ar,11R,13Ar,13Bs,15As,15Br)-3,11-Dihydroxy-4,6A,10,10,13A,15B-Hexamethyl-2,3,4,4A,5,6,6A,7,9,9A,10,11,12,13,13A,13B,14,15,15A,15B-Icosahydro-1H-Cyclohepta[1,2-A:5,4-A']Dinaphthalene-4-Carboxylic Acid
• 中文名称垂石松酸 A
• IUPAC名称(3S,4R,4aR,6aS,9aR,11R,13aR,13bS,15aS,15bR)-3,11-dihydroxy-4,6a,10,10,13a,15b-hexamethyl-2,3,4,4a,5,6,6a,7,9,9a,10,11,12,13,13a,13b,14,15,15a,15b-icosahydro-1H-cyclohepta[1,2-a:5,4-a']dinaphthalene-4-carboxylic acid
• 其它别名(4R)-3β,21β-Dihydroxy-C(14A)-Homo-27-Norgammacer-14-En-23-Oic Acid; Lycernuic Acid A; 1H-Cyclohepta[1,2-A:5,4-A']Dinaphthalene-4-Carboxylic Acid, 2,3,4,4A,5,6,6A,7,9,9A,10,11,12,13,13A,13B,14,15,15A,15B-Eicosahydro-3,11-Dihydroxy-4,6A,10,10,13A,15B-Hexamethyl-, (3S,4R,4Ar,6As,9Ar,11R,13Ar,13Bs,15As,15Br)-; Lycornuicacida
• CAS编号53755-77-4
• MFCD编号:MFCD20260816
• 分子式:C30H48O4分子量:472.71
• 产品CID: 2512046
• 产品分类天然产物 → 萜类

• 相似结构搜索
• 产品信息参考;;
• InChIKey: RGIWJHUJDHZDIN-PMVHANJISA-N
• InChI=1S/C30H48O4/c1-26(2)20-9-7-18-17-27(3)14-11-22-29(5,16-13-24(32)30(22,6)25(33)34)21(27)10-8-19(18)28(20,4)15-12-23(26)31/h7,19-24,31-32H,8-17H2,1-6H3,(H,33,34)/t19-
• 计算化学: 氢键受体数4.0氢键供体数3.0可旋转键数1.0

物理性质

• 熔点322-324 °C(溶剂: methanol (67-56-1); chloroform (67-66-3))
• 沸点595.0±50.0 °C(预测)
• 闪点327.7±26.6 °C
• 密度1.14±0.1 g/cm3(预测)
• pKa:4.51±0.70(预测)
• PSA:77.76
• LogP:6.2044

MSDS等安全信息

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
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其他信息查阅

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