- 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 1162262-53-4 ((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)
![(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 structure](https://ossimg.kuujia.com/scimg/1162500/1162262-53-4x500.png)
1162262-53-4 structure
Product Name:(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
CAS No:1162262-53-4
MF:C29H38O12
MW:578.604830265045
CID:5689526
Update Time:2024-02-03
(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 Chemical and Physical Properties
Names and Identifiers
-
- (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
-
- Inchi： 1S/C29H38O12/c1-14(30)41-27-13-39-18(27)11-16(31)25(4)19(27)22(40-23(35)15-9-7-6-8-10-15)28(37)12-17(32)26(5,36)29(38,24(28,2)3)21(34)20(25)33/h6-10,16-19,21-22,31-32,34,36-38H,11-13H2,1-5H3/t16-,17-,18+,19-,21-,22-,25+,26?,27-,28+,29?/m0/s1
- InChI Key： NVXHXYDRNGGSJD-FFGKUYGQSA-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(O)(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: 1.49±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Boiling Point: 706.6±60.0 °C(Predicted)
- pka: 11.07±0.70(Predicted)
(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 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-4,6,7,8,9,11-hexahydroxy-4a,8,13,13-tetramethyl-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-4,6,7,8,9,11-hexahydroxy-4a,8,13,13-tetramethyl-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-4,6,7,8,9,11-hexahydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
1162262-53-4 ((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) Related Products
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