Cas no 1164-45-0 (Gibbane-1,10-dicarboxylicacid, 1,4a-dimethyl-8-methylene-, (1a,4aa,4bb,10b)- (9CI))
1164-45-0 structure
Product Name:Gibbane-1,10-dicarboxylicacid, 1,4a-dimethyl-8-methylene-, (1a,4aa,4bb,10b)- (9CI)
CAS No:1164-45-0
MF:C20H28O4
MW:332.433926582336
CID:160387
PubChem ID:443450
Update Time:2025-04-19
Gibbane-1,10-dicarboxylicacid, 1,4a-dimethyl-8-methylene-, (1a,4aa,4bb,10b)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Gibbane-1,10-dicarboxylicacid, 1,4a-dimethyl-8-methylene-, (1a,4aa,4bb,10b)- (9CI)
- gibberellin A12
- (1alpha,4aalpha,4bbeta,10beta)-1,4a-dimethyl-8-methylidenegibbane-1,10-dicarboxylic acid
- Gibbane-1,10-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, (1alpha,4aalpha,4bbeta,10beta)-
- Gibberellin-A-12
- (1R,4aS,4bS,7R,9aR,10S,10aS)-1,4a-dimethyl-8-methylenedodecahydro-1H-7,9a-methanobenzo[a]azulene-1,10-dicarboxylic acid
- EX-A7056
- CHEBI:30088
- NCGC00385928-01_C20H28O4_Gibbane-1,10-dicarboxylic acid, 1,4a-dimethyl-8-methylene-, (1alpha,4aalpha,4bbeta,10beta)-
- SCHEMBL4345326
- DTXSID20922038
- NCGC00385928-01
- (1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid
- Gibberellin A116
- gibberellin 12
- 1164-45-0
- GA12
- LMPR0104170014
- Q27104111
- (1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
-
- Inchi： 1S/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)/t12-,13+,14-,15+,18+,19-,20+/m1/s1
- InChI Key： UJFQJDAESQJXTG-UFUZVNNQSA-N
- SMILES： OC([C@H]1[C@@H]2[C@@](C(=O)O)(C)CCC[C@@]2(C)[C@@H]2CC[C@H]3C(=C)C[C@]21C3)=O
Computed Properties
- Exact Mass: 332.19875937g/mol
- Monoisotopic Mass: 332.19875937g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 640
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.9
- Topological Polar Surface Area: 74.6?2
Gibbane-1,10-dicarboxylicacid, 1,4a-dimethyl-8-methylene-, (1a,4aa,4bb,10b)- (9CI) Related Literature
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1. 299. New metabolites of Gibberella fujikuroi. Part VIII. Gibberellin A12B. E. Cross,K. Norton J. Chem. Soc. 1965 1570
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2. Preparation of 13-hydroxygibberellin A12-7-aldehydeGraham J. Down,Michael Lee,Jake MacMillan,Karen S. Staples J. Chem. Soc. Perkin Trans. 1 1983 1103
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3. Index pages
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4. Studies in terpenoid biosynthesis. Part XIII. The biosynthetic relationship of the gibberellins in Gibberella fujikuroiRoger Evans,James R. Hanson J. Chem. Soc. Perkin Trans. 1 1975 663
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B. E. Cross,K. Norton Chem. Commun. (London) 1965 535
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