Cas no 146959-87-7 (Gibb-4b-ene-1,10-dicarboxylicacid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,2b,4aa,10b)- (9CI))
146959-87-7 structure
Product Name:Gibb-4b-ene-1,10-dicarboxylicacid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,2b,4aa,10b)- (9CI)
CAS No:146959-87-7
MF:C19H22O5
MW:330.374986171722
CID:193065
PubChem ID:11034886
Update Time:2024-03-01
Gibb-4b-ene-1,10-dicarboxylicacid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,2b,4aa,10b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Gibb-4b-ene-1,10-dicarboxylicacid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,2b,4aa,10b)- (9CI)
- 4a,1-(Epoxymethano)-7,9a-methanobenz[a]azulene,gibb-4b-ene-1,10-dicarboxylic acid deriv.
- GA88
- Gibberellin A88
- DTXSID401111202
- Gibb-4b-ene-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,10beta)-
- 146959-87-7
-
- Inchi： 1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h4,10,12-14,20H,1,3,5-8H2,2H3,(H,21,22)/t10-,12+,13-,14-,17-,18+,19-/m1/s1
- InChI Key： BSBICXIQCTXPMN-OOULSYMHSA-N
- SMILES： C([C@@H]1[C@]23CC(=C)[C@]([H])(CC=C2[C@@]24CC[C@H](O)[C@](C(=O)O2)(C)[C@@]14[H])C3)(=O)O
Computed Properties
- Exact Mass: 330.14672380g/mol
- Monoisotopic Mass: 330.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 1
- Complexity: 738
- 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: 0.9
- Topological Polar Surface Area: 83.8?2
Gibb-4b-ene-1,10-dicarboxylicacid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1a,2b,4aa,10b)- (9CI) Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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