Cas no 38970-49-9 (tschimganine)
tschimganine structure
Product Name:tschimganine
CAS No:38970-49-9
MF:C18H24O4
MW:304.380765914917
CID:924106
PubChem ID:2946267
Update Time:2025-04-19
tschimganine Chemical and Physical Properties
Names and Identifiers
-
- tschimganine
- AKOS021609476
- HMS1648E08
- tschimganin
- AKOS002141361
- Oprea1_116207
- bornyl vanillate
- (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-hydroxy-3-methoxybenzoate
- SCHEMBL15603489
- 1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPTAN-2-YL 4-HYDROXY-3-METHOXYBENZOATE
- 38970-49-9
- 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 4-hydroxy-3-methoxybenzoate
- SCHEMBL20077375
- DTXSID001346544
-
- Inchi： 1S/C18H24O4/c1-17(2)12-7-8-18(17,3)15(10-12)22-16(20)11-5-6-13(19)14(9-11)21-4/h5-6,9,12,15,19H,7-8,10H2,1-4H3
- InChI Key： KTOAGBIQQPGNIR-UHFFFAOYSA-N
- SMILES： COC1C(O)=CC=C(C(OC2C3(C(C(CC3)C2)(C)C)C)=O)C=1
Computed Properties
- Exact Mass: 304.16745924g/mol
- Monoisotopic Mass: 304.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 446
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 55.8?2
tschimganine Related Literature
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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