Cas no 74513-24-9 ((1R)-5α-Acetoxy-7α-vinyl-1,2,3,4,4a,4bα,5,6,7,8,10,10aα-dodecahydro-1,4aβ,7-trimethyl-1-phenanthrenecarboxylic acid)
74513-24-9 structure
Product Name:(1R)-5α-Acetoxy-7α-vinyl-1,2,3,4,4a,4bα,5,6,7,8,10,10aα-dodecahydro-1,4aβ,7-trimethyl-1-phenanthrenecarboxylic acid
CAS No:74513-24-9
MF:C22H32O4
MW:360.487087249756
CID:578377
Update Time:2024-03-01
(1R)-5α-Acetoxy-7α-vinyl-1,2,3,4,4a,4bα,5,6,7,8,10,10aα-dodecahydro-1,4aβ,7-trimethyl-1-phenanthrenecarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1-Phenanthrenecarboxylicacid,5-(acetyloxy)-7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-,(1R,4aS,4bS,5R,7R,10aR)-
- (1R)-5α-Acetoxy-7α-vinyl-1,2,3,4,4a,4bα,5,6,7,8,10,10aα-dodecahydro-1,4aβ,7-trimethyl-1-phenanthrenecarboxylic acid
- 1-Phenanthrenecarboxylicacid,5-(acetyloxy)-7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-,(1R,4aS,4bS,5
- 1-Phenanthrenecarboxylicacid,5-(acetyloxy)-7-ethenyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydro-1,4a,7-trimethyl-,[1R-(1a,4ab,4ba,5a,7a,10aa)]-
- Cleonioic acid
- CID 102239785
- 11α-Acetoxyisopimara-7,15-dien-18-oic acid
-
- Inchi： 1S/C22H32O4/c1-6-20(3)12-15-8-9-17-21(4,10-7-11-22(17,5)19(24)25)18(15)16(13-20)26-14(2)23/h6,8,16-18H,1,7,9-13H2,2-5H3,(H,24,25)/t16-,17-,18-,20-,21+,22-/m1/s1
- InChI Key： CELGIRWRVMXHLL-OHLMWPLVSA-N
- SMILES： O(C(C)=O)[C@@H]1C[C@@](C=C)(C)CC2=CC[C@H]3[C@@](C(=O)O)(C)CCC[C@]3(C)[C@H]21
Computed Properties
- Exact Mass: 360.23
- Monoisotopic Mass: 360.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 4
- Complexity: 665
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.6
(1R)-5α-Acetoxy-7α-vinyl-1,2,3,4,4a,4bα,5,6,7,8,10,10aα-dodecahydro-1,4aβ,7-trimethyl-1-phenanthrenecarboxylic acid Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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