Cas no 14605-17-5 (11-oxo-oleanolic acid acetate)
11-oxo-oleanolic acid acetate structure
Product Name:11-oxo-oleanolic acid acetate
CAS No:14605-17-5
MF:C32H48O5
MW:512.720530509949
CID:1995206
PubChem ID:44299340
Update Time:2025-04-21
11-oxo-oleanolic acid acetate Chemical and Physical Properties
Names and Identifiers
-
- 11-oxo-oleanolic acid acetate
- 3-acetyl-11-oxooleanolic acid
- 3beta-acetoxy-11-oxo-olean-12-en-28-oic acid
- 3beta-acetoxy-11-oxo-oleanen-(12)-oic acid-(28)
- 3beta-Acetoxy-11-oxo-oleanen-(12)-saeure-(28)
- 3beta-acetoxy-11-oxoolean-12-en-28-oic acid
- lantanone
- CHEMBL56578
- (4aS,6aS,6bR,10S,12aS,14bS)-10-acetyloxy-2,2,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid
- 14605-17-5
-
- Inchi： 1S/C32H48O5/c1-19(33)37-24-10-11-29(6)23(28(24,4)5)9-12-31(8)25(29)22(34)17-20-21-18-27(2,3)13-15-32(21,26(35)36)16-14-30(20,31)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23?,24-,25?,29-,30+,31+,32-/m0/s1
- InChI Key： UYMVUDWLGIYLKY-IHRZCVOISA-N
- SMILES： O(C(C)=O)[C@H]1CC[C@@]2(C)C(CC[C@@]3(C)[C@]4(C)CC[C@@]5(C(=O)O)CCC(C)(C)C[C@H]5C4=CC(C32)=O)C1(C)C
Computed Properties
- Exact Mass: 512.35017463g/mol
- Monoisotopic Mass: 512.35017463g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 37
- Rotatable Bond Count: 3
- Complexity: 1070
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.485
- Topological Polar Surface Area: 80.7?2
11-oxo-oleanolic acid acetate Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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