Cas no 19907-21-2 (Delta8(9)-Isopimarinsaeure-methylester)
19907-21-2 structure
Product Name:Delta8(9)-Isopimarinsaeure-methylester
CAS No:19907-21-2
MF:C21H32O2
MW:316.477586746216
CID:2015918
PubChem ID:13877500
Update Time:2025-04-21
Delta8(9)-Isopimarinsaeure-methylester Chemical and Physical Properties
Names and Identifiers
-
- Delta8(9)-Isopimarinsaeure-methylester
- Methyl 8,15-isopimaradienoate
- (1R)-1,2,3,4,4a,5,6,7,8,9,10,10aα-Dodecahydro-1,4aβ,7-trimethyl-7α-ethenyl-1α-phenanthrenecarboxylic acid methyl ester
- Methyl 8,15-Isopimaradien-18-oate
- 19907-21-2
- methyl (1R,4aS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate
- GTFNGUBYWRFHMR-GFOJFJKKSA-N
-
- Inchi： 1S/C21H32O2/c1-6-19(2)13-10-16-15(14-19)8-9-17-20(16,3)11-7-12-21(17,4)18(22)23-5/h6,17H,1,7-14H2,2-5H3/t17-,19+,20-,21-/m1/s1
- InChI Key： GTFNGUBYWRFHMR-GFOJFJKKSA-N
- SMILES： O(C)C([C@]1(C)CCC[C@]2(C)C3CC[C@@](C=C)(C)CC=3CC[C@H]21)=O
Computed Properties
- Exact Mass: 316.240230259g/mol
- Monoisotopic Mass: 316.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 23
- Rotatable Bond Count: 3
- Complexity: 560
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 26.3?2
Delta8(9)-Isopimarinsaeure-methylester Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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