曼陀罗萜醇酮

曼陀罗萜醇酮
	IUPAC名; (4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-Hydroxy-4,4,6a,6b,8a,14b-hexamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicen-3(2H)-one
识别
CAS号	41498-80-0
PubChem	122859
ChemSpider	109521
SMILES	CC1(CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(=O)C5(C)C)C)O)C)C2C1)C)C)C;
性质
化学式	C30H48O2
摩尔质量	440.7 g·mol−1
	若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。

曼陀罗萜醇酮（英語：Daturaolone，也称作：3-氧代-6-β-羟基-β-香树脂醇，3-oxo-6-β-hydroxy-β-amyrin^[1]，化学名：6-羟基齐墩果-12-烯-3-酮，6-hydroxyolean-12-en-3-one）是一种齐墩果烷型五环三萜化合物^[2]，化学式为C₃₀H₄₈O₂，存在于曼陀罗（D. stramonium）^[3]、毛曼陀罗（D. innoxia）^[4]等曼陀罗属（Datura）植物中。

参考文献

^ Bawazeer, Saud; Rauf, Abdur; Bawazeer, Sami. Gastrointestinal Motility, Muscle Relaxation, Antipyretic and Acute Toxicity Screening of Amyrin Type Triterpenoid (Daturaolone) Isolated From Datura metel Linnaeus (Angel's Trumpet) Fruits. Frontiers in Pharmacology. 2020, 11: 544794. ISSN 1663-9812. PMC 7546419  . PMID 33101017. doi:10.3389/fphar.2020.544794  .
^ Baig, Muhammad Waleed; Fatima, Humaira; Akhtar, Nosheen; Hussain, Hidayat; Okla, Mohammad K.; Al-Hashimi, Abdulrahman; Al-Qahtani, Wahidah H.; AbdElgawad, Hamada; Haq, Ihsan-ul. Anti-Inflammatory Potential of Daturaolone from Datura innoxia Mill.: In Silico, In Vitro and In Vivo Studies. Pharmaceuticals. 2021-11-30, 14 (12): 1248. ISSN 1424-8247. PMC 8708807  . PMID 34959649. doi:10.3390/ph14121248  .
^ 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.

[1] Bawazeer, Saud; Rauf, Abdur; Bawazeer, Sami. Gastrointestinal Motility, Muscle Relaxation, Antipyretic and Acute Toxicity Screening of Amyrin Type Triterpenoid (Daturaolone) Isolated From Datura metel Linnaeus (Angel's Trumpet) Fruits. Frontiers in Pharmacology. 2020, 11: 544794. ISSN 1663-9812. PMC 7546419  . PMID 33101017. doi:10.3389/fphar.2020.544794  .

[2] Baig, Muhammad Waleed; Fatima, Humaira; Akhtar, Nosheen; Hussain, Hidayat; Okla, Mohammad K.; Al-Hashimi, Abdulrahman; Al-Qahtani, Wahidah H.; AbdElgawad, Hamada; Haq, Ihsan-ul. Anti-Inflammatory Potential of Daturaolone from Datura innoxia Mill.: In Silico, In Vitro and In Vivo Studies. Pharmaceuticals. 2021-11-30, 14 (12): 1248. ISSN 1424-8247. PMC 8708807  . PMID 34959649. doi:10.3390/ph14121248  .

[pmid22568232-3] 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）.

[pmid4745874-4] 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.

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曼陀罗萜醇酮

IUPAC名 (4aR,5R,6aR,6bS,8aR,12aR,14aR,14bR)-5-Hydroxy-4,4,6a,6b,8a,14b-hexamethyl-1,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-octadecahydropicen-3(2H)-one
识别
CAS号	41498-80-0
PubChem	122859
ChemSpider	109521
SMILES	CC1(CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(=O)C5(C)C)C)O)C)C2C1)C)C)C
性质
化学式	C₃₀H₄₈O₂
摩尔质量	440.7 g·mol⁻¹
若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。