Cas no 88373-66-4 ((1alpha,4aalpha,4bbeta,10beta)-4a-(hydroxymethyl)-1-methyl-8-methylidenegibbane-1,10-dicarboxylic acid)
88373-66-4 structure
Product Name:(1alpha,4aalpha,4bbeta,10beta)-4a-(hydroxymethyl)-1-methyl-8-methylidenegibbane-1,10-dicarboxylic acid
CAS No:88373-66-4
MF:C20H26O5
MW:346.417446613312
CID:1922456
PubChem ID:443453
Update Time:2025-04-21
(1alpha,4aalpha,4bbeta,10beta)-4a-(hydroxymethyl)-1-methyl-8-methylidenegibbane-1,10-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- (1alpha,4aalpha,4bbeta,10beta)-4a-(hydroxymethyl)-1-methyl-8-methylidenegibbane-1,10-dicarboxylic acid
- GA15 open lactone
- CHEBI:29590
- 88373-66-4
- DTXSID501008101
- (1R,4aR,4bR,7R,9aR,10S,10aS)-4a-(hydroxymethyl)-1-methyl-8-methylenedodecahydro-1H-7,9a-methanobenzo[a]azulene-1,10-dicarboxylic acid
- 4a-(Hydroxymethyl)-1-methyl-8-methylidenegibbane-1,10-dicarboxylic acid
- SCHEMBL20604625
- Gibberellin A15 open lactone
- (1R,2S,3S,4R,8R,9R,12R)-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
- Q27104075
- gibberellin A15 (diacid form)
- (1R,2S,3S,4R,8R,9R,12R)-8-(hydroxymethyl)-4-methyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid
- 4a-(hydroxymethyl)-1beta-methyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid
- LMPR0104170017
-
- Inchi： 1S/C20H28O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h12-15,21H,1,3-10H2,2H3,(H,22,23)(H,24,25)/p-2
- InChI Key： TZGXVFYTKTWKCU-UHFFFAOYSA-L
- SMILES： C=C1C2CCC3C(C(C([O-])=O)C4C3(CO)CCCC4(C([O-])=O)C)(C2)C1
Computed Properties
- Exact Mass: 348.19367399Da
- Monoisotopic Mass: 348.19367399Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 3
- Complexity: 656
- 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: 2.714
- Topological Polar Surface Area: 94.8?2
(1alpha,4aalpha,4bbeta,10beta)-4a-(hydroxymethyl)-1-methyl-8-methylidenegibbane-1,10-dicarboxylic acid 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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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