Cas no 34424-57-2 (Kaurene)
Kaurene structure
Product Name:Kaurene
CAS No:34424-57-2
MF:C20H32
MW:272.468086242676
CID:294828
PubChem ID:3033942
Update Time:2025-04-19
Kaurene Chemical and Physical Properties
Names and Identifiers
-
- Kaurene
- 4,4,8,11b-tetramethyl-3,4,4a,5,6,7,8,9,10,11,11a,11b-dodecahydro-6a,9-methanocyclohepta[a]naphthalene
- (4R,9R,10R,13S,14S)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-7-ene
- 34424-57-2
- (4aR,8S,9S,11aR,11bR)-4,4,8,11b-tetramethyl-3,4,4a,5,6,7,8,9,10,11,11a,11b-dodecahydro-6a,9-methanocyclohepta[a]naphthalene
- CHEBI:167426
-
- Inchi： 1S/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h5,10,14-17H,6-9,11-13H2,1-4H3/t14-,15-,16+,17?,19+,20?/m0/s1
- InChI Key： IODSADAHQKFXES-XVMPHBCJSA-N
- SMILES： C123CC[C@@H]4C(C)(C)CC=C[C@@]4(C)C1CC[C@H]([C@@H](C)C2)C3
Computed Properties
- Exact Mass: 272.250401
- Monoisotopic Mass: 272.250401
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 445
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 0
- XLogP3: 7.2
Experimental Properties
- Density: 0.97
- Boiling Point: 343.5°Cat760mmHg
- Flash Point: 170.3°C
Kaurene Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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