Cas no 97286-73-2 ([4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid)
97286-73-2 structure
Product Name:[4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid
CAS No:97286-73-2
MF:C15H22O2
MW:234.333984851837
CID:1991078
Update Time:2024-03-01
[4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- [4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid
- (-)-Sclerosporin
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- Inchi: 1S/C15H22O2/c1-9(2)11-6-7-13(15(16)17)12-5-4-10(3)8-14(11)12/h7-9,11-12,14H,4-6H2,1-3H3,(H,16,17)/t11-,12+,14-/m0/s1
- InChI Key: WMNZIVZTRJKKHL-SCRDCRAPSA-N
- SMILES: C(C1=CC[C@@H](C(C)C)[C@]2([H])C=C(C)CC[C@]12[H])(=O)O
Computed Properties
- Exact Mass: 234.162
- Monoisotopic Mass: 234.162
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 376
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 37.3A^2
[4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
97286-73-2 ([4S,(-)]-3,4,4aβ,7,8,8aβ-Hexahydro-6-methyl-4β-(1-methylethyl)-1-naphthalenecarboxylic acid) Related Products
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