Cas no 138665-46-0 (Solanocardinol)
Solanocardinol structure
Product Name:Solanocardinol
CAS No:138665-46-0
MF:C27H45NO3
MW:431.651108503342
CID:2055504
PubChem ID:73802037
Update Time:2025-04-21
Solanocardinol Chemical and Physical Properties
Names and Identifiers
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- Solanocardinol
- DTXSID601099375
- (2S,4aS,4bS,6aS,6bR,7S,7aR,10S,11aR,12aS,13aS,13bR,15aS)-Docosahydro-4a,6a,7,10-tetramethylnaphth[2'',1'':4',5']indeno[1',2':5,6]pyrano[3,2-b]pyridine-2,11a(1H)-diol
- 138665-46-0
- Pimpifolidine
- (2S,4aS,4bS,6aS,6bR,7S,7aR,10S,11aR,12aS,13aS,13bR,15aS)-Docosahydro-4a,6a,7,10-tetramethylnaphth[2a(2)a(2),1a(2)a(2):4a(2),5a(2)]indeno[1a(2),2a(2):5,6]pyrano[3,2-b]pyridine-2,11a(1H)-diol
-
- Inchi： 1S/C27H45NO3/c1-15-13-27(30)24(28-14-15)16(2)23-22(31-27)12-21-19-6-5-17-11-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h15-24,28-30H,5-14H2,1-4H3
- InChI Key： ZHFCFFSSVSIEIR-UHFFFAOYSA-N
- SMILES： O1C2(CC(C)CNC2C(C)C2C1CC1C3CCC4CC(CCC4(C)C3CCC12C)O)O
Computed Properties
- Exact Mass: 431.33994430g/mol
- Monoisotopic Mass: 431.33994430g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 31
- Rotatable Bond Count: 0
- Complexity: 729
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 13
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.2
- Topological Polar Surface Area: 61.7?2
Solanocardinol Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Solanocapsine-type alkaloids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal alkaloids Solanocapsine-type alkaloids
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