Cas no 3625-01-2 (1-Phenanthrenecarboxylicacid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-,(1R,4aS,7S,10aR)-)
3625-01-2 structure
Product Name:1-Phenanthrenecarboxylicacid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-,(1R,4aS,7S,10aR)-
CAS No:3625-01-2
MF:C20H30O2
MW:302.451006412506
CID:318315
PubChem ID:15627707
Update Time:2025-04-19
1-Phenanthrenecarboxylicacid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-,(1R,4aS,7S,10aR)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Phenanthrenecarboxylicacid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-,(1R,4aS,7S,10aR)-
- 1-Phenanthrenecarboxylicacid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-,[1R-(1a,4ab,7a,10aa)]-; 7-Allopimara-13,18-dien-15-oic acid (6CI); Podocarp-8-en-15-oic acid, 13b-methyl-13-vinyl- (7CI,8CI); 8,15-Isopimaradien-18-oic acid; 8,15-Isopimaric acid; D13-Isodextropimaric acid; D8,15-Isopimaric acid
- D8-Isopimaric acid
- 8,15-Isopimaradien-18-oic acid
- (4-aminophenyl)-Phosphonous acid
- (p-aminophenyl)-Phosphonous acid
- 7-ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
- CHEBI:170106
-
- Inchi： 1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,16H,1,6-13H2,2-4H3,(H,21,22)
- InChI Key： BFPAVSSBPLQXJZ-UHFFFAOYSA-N
- SMILES： OC(C1(C)CCCC2(C)C3CCC(C=C)(C)CC=3CCC21)=O
Computed Properties
- Exact Mass: 302.2247
- Monoisotopic Mass: 302.224580195g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 546
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
1-Phenanthrenecarboxylicacid, 7-ethenyl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydro-1,4a,7-trimethyl-,(1R,4aS,7S,10aR)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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