Cas no 751-49-5 ( )
structure
Product Name:
Chemical and Physical Properties
Names and Identifiers
-
- 19-Deoxy-6β,19-epoxylimonoic acid 16,17-lactone
- 751-49-5
- DTXSID80996593
- 2-[6-(furan-3-yl)-5,12,16,16-tetramethyl-8,13-dioxo-7,10,17,20-tetraoxahexacyclo[12.4.2.01,15.02,12.05,11.09,11]icosan-18-yl]acetic acid
- 19-Deoxy-6beta,19-epoxylimonoic acid 16,17-lactone
- NSC314316
- Limonoic acid,19-epoxy-, 16,17-lactone
- Limonoic acid, 19-deoxy-6,19-epoxy-, 16,17-lactone
- 2-(1-(furan-3-yl)-4b,7,7,11a-tetramethyl-3,5-dioxododecahydro-9H-6,9a-(epoxymethano)isobenzofuro[5,4-f]oxireno[2,3-d]isochromen-9-yl)acetic acid
- AKOS040752578
- NSC-314316
- LIMONILIC ACID
- [9-(Furan-3-yl)-3,3,5a,9a-tetramethyl-5,7-dioxododecahydro-1H-4,11b-(epoxymethano)furo[3',4':5,6]naphtho[2,1-c]oxireno[d]pyran-1-yl]acetic acid
- NSC 314316
-
-
- Inchi： 1S/C26H30O9/c1-22(2)17-16-18(29)24(4)13(25(17,11-32-16)14(34-22)9-15(27)28)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,16-17,19-20H,5,7,9,11H2,1-4H3,(H,27,28)
- InChI Key： WCUZRQHRKOLHQW-UHFFFAOYSA-N
- SMILES： O1C2C(=O)OC(C3=COC=C3)C3(C)CCC4C56COC(C(C4(C)C132)=O)C5C(C)(C)OC6CC(=O)O
Computed Properties
- Exact Mass: 486.18898253g/mol
- Monoisotopic Mass: 486.18898253g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 35
- Rotatable Bond Count: 3
- Complexity: 1040
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 125?2
Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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