CAS: 22149-65-1; (3S,3As,5Ar,5Br,7Ar,9S,11Ar,11Br,13Ar,13Bs)-3-(2-Hydroxypropan-2-yl)-5A,5B,8,8,11A,13B-Hexamethylicosahydro-1H-Cyclopenta[a]Chrysen-9-Ol

英文名称(3S,3As,5Ar,5Br,7Ar,9S,11Ar,11Br,13Ar,13Bs)-3-(2-Hydroxypropan-2-yl)-5A,5B,8,8,11A,13B-Hexamethylicosahydro-1H-Cyclopenta[a]Chrysen-9-Ol
中文名称藿烷-3β,22-二醇
IUPAC名称(3S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethylicosahydro-1H-cyclopenta[a]chrysen-9-ol
其它别名3β,22-Dihydroxyhopane; A'-Neogammacerane-3β,22-Diol; Hopane-3β,22-Diol; 3Beta,22-Dihydroxyhopane; Hopane-3Beta,22-Diol; A'-Neogammacerane-3,22-Diol, (3β)-; Hopane-3β; Hopane-3β,22-Diol
CAS编号22149-65-1
MFCD编号:MFCD26406084
分子式:C30H52O2分子量:444.74
产品CID: 1147842
产品分类天然产物 → 萜类

相似结构搜索
产品信息参考;;;;
InChIKey: FNUXMEOWJVTJJE-DTXRQUTOSA-N
InChI=1S/C30H52O2/c1-25(2)21-13-18-30(8)23(28(21,6)16-14-24(25)31)10-9-22-27(5)15-11-19(26(3,4)32)20(27)12-17-29(22,30)7/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,2
计算化学: 氢键受体数2.0氢键供体数2.0可旋转键数1.0

物理性质

熔点284-285 °C(溶剂: chloroform (67-66-3); methanol (67-56-1))
沸点515.6±23.0 °C(预测)
闪点229.3±23.5 °C
密度1.014±0.06 g/cm3(预测)
pKa:15.11±0.29(预测)
LogP:8.4

MSDS等安全信息

危险描述H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation 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

squalene 2,3(S)-oxide (3S)-2,3-oxidosqualene (3R)-2,3-oxidosqualenehydroxyhopanone hop-17(21)-en-3-ol (3S,3aS,5aR,5bR,11aR,11bR,13aR,13bS)-3-(1-Hydroxy-1-methyl-ethyl)-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-cyclopenta[a]chrysen-9-one

合成工艺路线路线简述

📜Hydroxyhopanone 在 Sodium Tetrahydroborate体系中,获得 Hopane-3β,22-Diol
参考文献:来自香港十种石松属的三萜类化合物
标题:来自香港十种石松属的三萜类化合物
摘要:摘要来自十种石果属植物( L. Attenuata,L.Cornea,L. Elizabethae,L. Glabra,L. Haipinii,L. Hancei,L. Harlandi,L. Irwinii,L. Litchioides )的叶和茎的石油提取物,和 L. Polystachya ),分离出 23 种不同的三萜,谷甾醇和豆甾醇.在三萜类化合物中,有 11 种属于齐墩果烷和重排齐墩果烷组 [β-香树脂醇,弗里德林,弗里德兰-3β-醇,谷蛋白醇,蒲公英,蒲公英及其醋酸盐,树油酚 (28-羟基弗里德兰-3-One),弗里德兰-2,3-Dione (3-Hydroxyfriedel-3-En-2-One),Pachysandiol-A (2α,3β-Dihydroxyfriedelane) 和新化合物石果酸内酯 C 30 H 50 O 2
Doi:10.1016/0031-9422(75)85187-9