羽扇豆烷

化合物

羽扇豆烷(英语:Lupane),是一种五环三萜化合物,分子式为C30H52,是羽扇豆醇等化合物的母结构,其它衍生物还有白桦脂醇白桦脂酸[1]

羽扇豆烷
IUPAC名
(1R,3aR,5aR,5bR,11aS)-3a,5a,5b,8,8,11a-hexamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene
系统名
(1R,2R,5R,8S,9R,10R,13R,14S,19S)-1,2,5,14,18,18-hexamethyl-8-(1-methylethyl)pentacyclo[11.8.0.02,10.05,9.014,19]henicosane

(1R,2R,5R,8S,9R,10R,13R,14S,19S)-1,2,5,14,18,18-六甲基-8-(1-甲基乙基)五环[11.8.0.02,10.05,9.014,19]二十一烷

识别
CAS号 464-99-3
PubChem 3083568
ChemSpider 2340755
SMILES
 
  • CC(C)[C@H]1CC[C@]2(C1C3CCC4[C@]5(CCCC(C5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C
InChI
 
  • 1S/C30H52/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h20-25H,9-19H2,1-8H3/t21-,22?,23?,24?,25?,27-,28+,29-,30-/m1/s1
InChIKey NKMDIWKRKQFYPH-DONWXUBYSA-N
ChEBI 36485
性质
化学式 C30H52
摩尔质量 412.73 g·mol−1
若非注明,所有数据均出自标准状态(25 ℃,100 kPa)下。

另见 编辑

参考文献 编辑

  1. ^ Kommera, Harish; Kaluđerović, Goran N.; Kalbitz, Jutta; Paschke, Reinhard. Lupane Triterpenoids—Betulin and Betulinic acid derivatives induce apoptosis in tumor cells. Investigational New Drugs. 2009, 29 (2): 266–272. ISSN 0167-6997. doi:10.1007/s10637-009-9358-x.