Cas no 5956-15-0 (1-Naphthalenepentanoicacid, 5-carboxydecahydro-b,5,8a-trimethyl-2-methylene-, (1S,4aR,5S,8aR)-)
5956-15-0 structure
Product Name:1-Naphthalenepentanoicacid, 5-carboxydecahydro-b,5,8a-trimethyl-2-methylene-, (1S,4aR,5S,8aR)-
CAS No:5956-15-0
MF:C20H32O4
MW:336.465686798096
CID:371569
PubChem ID:6453826
Update Time:2025-04-19
1-Naphthalenepentanoicacid, 5-carboxydecahydro-b,5,8a-trimethyl-2-methylene-, (1S,4aR,5S,8aR)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Naphthalenepentanoicacid, 5-carboxydecahydro-b,5,8a-trimethyl-2-methylene-, (1S,4aR,5S,8aR)-
- (1R,4aR,5S,8aR)-5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
- dihydroagathic acid
- 1-Naphthalenepentanoic acid, 5-carboxydecahydro-beta,5,8a-trimethyl-2-methylene-, (1S-(1alpha,4abeta,5alpha,8aalpha))-
- DTXSID10904202
- 5956-15-0
- Labda-8(17)-ene-15,19-dioic acid
- 5-Carboxydecahydro-beta,5,8a-trimethyl-2-methylene-1-naphthalenepentanoic acid (1S-(1alpha,4abeta,5alpha,8aalpha))-
-
- Inchi： 1S/C20H32O4/c1-13(12-17(21)22)6-8-15-14(2)7-9-16-19(15,3)10-5-11-20(16,4)18(23)24/h13,15-16H,2,5-12H2,1,3-4H3,(H,21,22)(H,23,24)/t13?,15-,16+,19+,20+/m0/s1
- InChI Key： HPQKNJHVWUWAOR-QEQIUYPFSA-N
- SMILES： OC([C@]1(C)CCC[C@]2(C)[C@@H](CCC(C)CC(=O)O)C(=C)CC[C@H]21)=O
Computed Properties
- Exact Mass: 336.23006
- Monoisotopic Mass: 336.23006
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 526
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6
- XLogP3: 4.7
Experimental Properties
- Color/Form: Solid powder
- Density: 1.09
- Boiling Point: 486.7°C at 760 mmHg
- Flash Point: 262.2°C
- Refractive Index: 1.521
1-Naphthalenepentanoicacid, 5-carboxydecahydro-b,5,8a-trimethyl-2-methylene-, (1S,4aR,5S,8aR)- Security Information
- Signal Word：Warning
- Storage Condition：Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).
1-Naphthalenepentanoicacid, 5-carboxydecahydro-b,5,8a-trimethyl-2-methylene-, (1S,4aR,5S,8aR)- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
5956-15-0 (1-Naphthalenepentanoicacid, 5-carboxydecahydro-b,5,8a-trimethyl-2-methylene-, (1S,4aR,5S,8aR)-) Related Products
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