曼陀罗萜二醇

曼陀罗萜二醇
	IUPAC名; (3S,4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,5-diol
识别
CAS号	41498-79-7
PubChem	3084830
ChemSpider	2341835
SMILES	C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)[C@@H]1CC(CC2)(C)C)C;
ChEBI	138955
KEGG	C21821
性质
化学式	C30H50O2
摩尔质量	442.72 g·mol−1
	若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。

曼陀罗萜二醇（英语：Daturadiol）是一种齐墩果烷型五环三萜化合物，化学式为C₃₀H₅₀O₂，存在于曼陀罗（D. stramonium）^[1]、毛曼陀罗（D. innoxia）^[2]等茄科曼陀罗属（Datura）植物和油桐（Vernicia fordii）^[3]等植物中。

参考文献

^ Li J, Lin B, Wang G, Gao H, Qin M. [Chemical constituents of Datura stramonium seeds]. Zhongguo Zhong Yao Za Zhi = Zhongguo Zhongyao Zazhi = China Journal of Chinese Materia Medica. February 2012, 37 (3): 319–22. PMID 22568232 （中文）.
^ Kocór M, Pyrek JS, Atal CK, Bedi KL, Sharma BR. Triterpenes of Datura innoxia Mill. Structure of daturadiol and daturaolone. The Journal of Organic Chemistry. October 1973, 38 (21): 3685–8. PMID 4745874. doi:10.1021/jo00961a005.
^ Pei, Yi-Hua; Kwon, Ok-Kyoung; Lee, Ji-Seon; Cha, Hyuk-Jin; Ahn, Kyung-Seop; Oh, Sei-Ryang; Lee, Hyeong-Kyu; Chin, Young-Won. Triterpenes with Cytotoxicity from the Leaves of Vernicia fordii. Chemical and Pharmaceutical Bulletin. 2013, 61 (6): 674–677. ISSN 0009-2363. PMID 23727783. doi:10.1248/cpb.c13-00055  .

曼陀罗萜二醇

IUPAC名 (3S,4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicene-3,5-diol
识别
CAS号	41498-79-7
PubChem	3084830
ChemSpider	2341835
SMILES	C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(C[C@H]([C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)[C@@H]1CC(CC2)(C)C)C
ChEBI	138955
KEGG	C21821
性质
化学式	C₃₀H₅₀O₂
摩尔质量	442.72 g·mol⁻¹
若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。