Cas no 7788-20-7 (3beta,20-dihydroxylupane)
3beta,20-dihydroxylupane structure
Product Name:3beta,20-dihydroxylupane
CAS No:7788-20-7
MF:C30H52O2
MW:444.732689857483
CID:2010049
PubChem ID:15560607
Update Time:2025-04-21
3beta,20-dihydroxylupane Chemical and Physical Properties
Names and Identifiers
-
- 3beta,20-dihydroxylupane
- lupan-3beta,20-diol
- Lupan-3beta,20-diol(?)
- lupane-3beta,20-diol
- lupane-3beta,20-diol(?)
- Monoginol A
- 7788-20-7
- C19863
- (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
- CHEBI:62735
- DTXSID901343397
- 3,20-dihydroxylupane
- (3beta)-lupane-3,20-diol
- Monogynol A
- Q27132129
- SCHEMBL18668130
- (1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-1-(2-hydroxypropan-2-yl)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta(a)chrysen-9-ol
-
- Inchi： 1S/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3
- InChI Key： YDNYDUBBAZTLTQ-UHFFFAOYSA-N
- SMILES： CC(C1C2C(CCC3(C4(C(C5(C(CC4)C(C)(C)C(O)CC5)C)CCC32)C)C)(C)CC1)(O)C
Computed Properties
- Exact Mass: 444.396730897g/mol
- Monoisotopic Mass: 444.396730897g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 1
- Complexity: 771
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 10
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 8.4
- Topological Polar Surface Area: 40.5?2
3beta,20-dihydroxylupane Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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