Cas no 83915-59-7 (13-Hydroxylabda-8(17),14-dien-18-oic acid)
83915-59-7 structure
Product Name:13-Hydroxylabda-8(17),14-dien-18-oic acid
CAS No:83915-59-7
MF:C20H32O3
MW:320.466286659241
CID:837056
PubChem ID:38350765
Update Time:2025-04-19
13-Hydroxylabda-8(17),14-dien-18-oic acid Chemical and Physical Properties
Names and Identifiers
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- 1-Naphthalenecarboxylic acid, decahydro-5-[(3R)-3-hydroxy-3-methyl-4-pentenyl]-1,4a-dimethyl-6-met hylene-, (1R,4aR,5S,8aR)-
- 13-Hydroxylabda-8(17),14-dien-18-oic acid
- 1-Naphthalenecarboxylic acid,decahydro-5-[(3R)-3-hydroxy-3-methyl-4-pentenyl]-1,4a-dimethyl-6-...
- 1-Naphthalenecarboxylic acid, decahydro-5-(3-hydroxy-3-methyl-4-pentenyl)-1,4a-dimethyl-6-methylene-, [1R-[1α,4aβ,5β(R*),8aα]]-
- 1-Naphthalenecarboxylic acid, decahydro-5-[(3R)-3-hydroxy-3-methyl-4-pentenyl]-1,4a-dimethyl-6-methylene-, (1R,4aR,5S,8aR)-
- 8(17),14-dien-18-oic13-Hydroxylabda-acid
- 83915-59-7
- AKOS032961981
- (1R,4aR,5S,8aR)-5-[(3R)-3-hydroxy-3-methylpent-4-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
- [ "" ]
-
- Inchi： 1S/C20H32O3/c1-6-18(3,23)13-10-15-14(2)8-9-16-19(15,4)11-7-12-20(16,5)17(21)22/h6,15-16,23H,1-2,7-13H2,3-5H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1
- InChI Key： LMODNMXJBXUOQF-KRFUXDQASA-N
- SMILES： OC([C@]1(C)CCC[C@]2(C)[C@@H](CC[C@@](C=C)(C)O)C(=C)CC[C@H]21)=O
Computed Properties
- Exact Mass: 320.23500
- Monoisotopic Mass: 320.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 5
- Complexity: 511
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.2
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- Color/Form: Powder
- Density: 1.1±0.1 g/cm3
- Boiling Point: 443.0±38.0 °C at 760 mmHg
- Flash Point: 235.8±23.3 °C
- PSA: 57.53000
- LogP: 4.56710
- Vapor Pressure: 0.0±2.4 mmHg at 25°C
13-Hydroxylabda-8(17),14-dien-18-oic acid Security Information
- Hazard Statement： H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：Store at 4 ℃, better at -4 ℃
13-Hydroxylabda-8(17),14-dien-18-oic acid Related Literature
-
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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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