Cas no 39717-39-0 (tin abietate)
tin abietate structure
Product Name:tin abietate
CAS No:39717-39-0
MF:C80H116O8Sn
MW:1324.48226451874
CID:306188
Update Time:2023-11-19
tin abietate Chemical and Physical Properties
Names and Identifiers
-
- 1-Phenanthrenecarboxylicacid, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-, tinsalt, [1R-(1a,4ab,4ba,10aa)]- (9CI)
- (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
- Tin abietate, technical
- Tin abietate
- CID 139594128
- (1R)-1,2,3,4,4a,4bα,5,6,10,10aα-Decahydro-1,4aβ-dimethyl-7-(1-methylethyl)phenanthrene-1α-carboxylic acid/tin,(1:x) salt
- tin abietate
-
- Inchi： 1S/4C20H30O2.Sn/c4*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h4*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;;;+4/p-4/t4*16-,17+,19+,20+;/m0000./s1
- InChI Key： ADFPMXRTZOLMRH-MSUPDTBESA-J
- SMILES： [Sn+4].[O-]C([C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]21)=O.[O-]C([C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]21)=O.[O-]C([C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]21)=O.[O-]C([C@]1(C)CCC[C@]2(C)[C@H]3CCC(C(C)C)=CC3=CC[C@H]21)=O
Computed Properties
- Exact Mass: 125.060742
- Monoisotopic Mass: 125.060742
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 89
- Rotatable Bond Count: 4
- Complexity: 536
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 161
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
tin abietate Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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