- Modification of taxane A ring via maneuvering of the C-11 double bond of 10-deacetylbaccatin III to get novel rearranged taxoidsChakraborty, Vaishali; Bordoloi, Manobjyoti, Letters in Organic Chemistry, 2008, 5(8), 687-691
Cas no 1162262-52-3 ((2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,8,9,11-pentahydroxy-4a,7,8-trimethyl-13-methylene-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one)
![(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,8,9,11-pentahydroxy-4a,7,8-trimethyl-13-methylene-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one structure](https://ossimg.kuujia.com/scimg/1162500/1162262-52-3x500.png)
1162262-52-3 structure
Product Name:(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,8,9,11-pentahydroxy-4a,7,8-trimethyl-13-methylene-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one
CAS No:1162262-52-3
MF:C29H36O11
MW:560.589550018311
CID:5689527
Update Time:2024-02-03
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,8,9,11-pentahydroxy-4a,7,8-trimethyl-13-methylene-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one Chemical and Physical Properties
Names and Identifiers
-
- (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,8,9,11-pentahydroxy-4a,7,8-trimethyl-13-methylene-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one
-
- Inchi： 1S/C29H36O11/c1-14-26(4)22(34)21(33)25(3)17(31)11-19-29(13-38-19,40-15(2)30)20(25)23(28(14,37)12-18(32)27(26,5)36)39-24(35)16-9-7-6-8-10-16/h6-10,17-20,22-23,31-32,34,36-37H,1,11-13H2,2-5H3/t17-,18-,19+,20-,22-,23-,25+,26?,27?,28-,29-/m0/s1
- InChI Key： UZVNICVNPSVSER-CDIPMTPZSA-N
- SMILES： O1C[C@@]2(OC(C)=O)[C@@]3([H])[C@H](OC(=O)C4=CC=CC=C4)[C@@]4(O)C(=C)C(C)(C(O)(C)[C@@H](O)C4)[C@@H](O)C(=O)[C@]3(C)[C@@H](O)C[C@@]12[H]
Experimental Properties
- Density: 1.45±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Boiling Point: 722.6±60.0 °C(Predicted)
- pka: 11.44±0.70(Predicted)
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,8,9,11-pentahydroxy-4a,7,8-trimethyl-13-methylene-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: m-Chloroperbenzoic acid Solvents: Dichloromethane ; overnight, rt
Reference
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,8,9,11-pentahydroxy-4a,7,8-trimethyl-13-methylene-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one Raw materials
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,8,9,11-pentahydroxy-4a,7,8-trimethyl-13-methylene-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one Preparation Products
- (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,7,8,9,11-hexahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one (1162262-53-4)
- (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,8,9,11-pentahydroxy-4a,7,8-trimethyl-13-methylene-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one (1162262-52-3)
- Docetaxel Impurity 19 (92950-45-3)
- 13-Oxo-10-deacetyl Baccatin III (92950-42-0)
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)tetradecahydro-4,6,8,9,11-pentahydroxy-4a,7,8-trimethyl-13-methylene-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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