Cas no 28644-72-6 (3-Clerodene-15,18-diol; (ent-5α,8αH,13ξ)-form, 15,18-Dicarboxylic acid)
28644-72-6 structure
Product Name:3-Clerodene-15,18-diol; (ent-5α,8αH,13ξ)-form, 15,18-Dicarboxylic acid
CAS No:28644-72-6
MF:C20H32O4
MW:336.465686798096
CID:271670
Update Time:2024-02-29
3-Clerodene-15,18-diol; (ent-5α,8αH,13ξ)-form, 15,18-Dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1-Naphthalenepentanoicacid, 5-carboxy-1,2,3,4,4a,7,8,8a-octahydro-b,1,2,4a-tetramethyl- (9CI)
- 5-Carboxy-1,2,3,4,4a,7,8,8a-octahydro-β,1,2,4a-tetramethyl-1-naphthalenepentanoic acid
- 17,19-Dinor-5b,8x-labd-3-ene-15,18-dioic acid, 5,9-dimethyl- (8CI)
- Cistodioic acid
- CID 101306729
- 3-Clerodene-15,18-diol; (ent-5α,8αH,13ξ)-form, 15,18-Dicarboxylic acid
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- Inchi： 1S/C20H32O4/c1-13(12-17(21)22)8-10-19(3)14(2)9-11-20(4)15(18(23)24)6-5-7-16(19)20/h6,13-14,16H,5,7-12H2,1-4H3,(H,21,22)(H,23,24)
- InChI Key： LGKWFTJHZPDXFD-UHFFFAOYSA-N
- SMILES： OC(C1=CCCC2C1(C)CCC(C)C2(C)CCC(C)CC(=O)O)=O
Computed Properties
- Exact Mass: 336.23
- Monoisotopic Mass: 336.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 538
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 5
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6
3-Clerodene-15,18-diol; (ent-5α,8αH,13ξ)-form, 15,18-Dicarboxylic acid Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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