咖啡豆醇

咖啡豆醇英語:)是一种二萜类分子,分子式C20H26O3,存在于小果咖啡(学名:Coffea arabica)的咖啡豆中,与咖啡醇密切相关[1]

咖啡豆醇
IUPAC名
(3bS,5aS,7R,8R,10aR,10bS)-3b,4,5,6,7,8,9,10,10a,10b-Decahydro-7-hydroxy-10b-methyl-5a,8-Methano-5aH-cyclohepta(5,6)naphtho(2,1-b)furan-7-methanol
识别
CAS号 6894-43-5  checkY
PubChem 114778
ChemSpider 102755
SMILES
 
  • OC[C@@]5(O)C[C@@]43[C@H]([C@@]2(/C=C\c1occc1[C@H]2CC3)C)CC[C@@H]5C4
InChI
 
  • 1/C20H26O3/c1-18-7-5-16-14(6-9-23-16)15(18)4-8-19-10-13(2-3-17(18)19)20(22,11-19)12-21/h5-7,9,13,15,17,21-22H,2-4,8,10-12H2,1H3/t13-,15-,17+,18-,19+,20+/m1/s1
InChIKey JEKMKNDURXDJAD-HWUKTEKMBU
ChEBI 138308
性质
化学式 C20H26O3
摩尔质量 314.42 g·mol−1
若非注明,所有数据均出自标准状态(25 ℃,100 kPa)下。

参考文献

  1. Surma, Stanisław; Oparil, Suzanne. . Current Hypertension Reports. 2021-08-09, 23 (7): 38. ISSN 1522-6417. PMC 8352830可免费查阅. PMID 34370111. doi:10.1007/s11906-021-01156-3.
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