Cas no 85344-33-8 ((1alpha,4aalpha,4bbeta,10beta)-10-formyl-7-hydroxy-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid)
85344-33-8 structure
Product Name:(1alpha,4aalpha,4bbeta,10beta)-10-formyl-7-hydroxy-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid
CAS No:85344-33-8
MF:C20H28O4
MW:332.433926582336
CID:1836315
PubChem ID:443494
Update Time:2025-04-21
(1alpha,4aalpha,4bbeta,10beta)-10-formyl-7-hydroxy-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- (1alpha,4aalpha,4bbeta,10beta)-10-formyl-7-hydroxy-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid
- (1S,2S,3S,4R,8S,9S,12S)-2-formyl-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid
- CHEBI:29601
- DTXSID80332114
- (1S,2S,3S,4R,8S,9S,12S)-2-formyl-12-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-4-carboxylic acid
- Gibberellin A53 aldehyde
- LMPR0104170029
- 10beta-formyl-7-hydroxy-1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha-carboxylic acid
- 85344-33-8
- Q27110169
-
- Inchi： 1S/C20H28O4/c1-12-9-19-11-20(12,24)8-5-14(19)17(2)6-4-7-18(3,16(22)23)15(17)13(19)10-21/h10,13-15,24H,1,4-9,11H2,2-3H3,(H,22,23)/t13-,14-,15-,17-,18+,19+,20-/m0/s1
- InChI Key： DHEPJQQWDJWPJY-XQIDNCIUSA-N
- SMILES： O[C@]12C(=C)C[C@@]3(C1)[C@@H](C=O)[C@@H]1[C@@](C(=O)O)(C)CCC[C@@]1(C)[C@@H]3CC2
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: 642
- 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: 2.2
- Topological Polar Surface Area: 74.6?2
(1alpha,4aalpha,4bbeta,10beta)-10-formyl-7-hydroxy-1,4a-dimethyl-8-methylidenegibbane-1-carboxylic acid Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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