Cas no 468-67-7 (24,25,26-Trinoroleanan-3-one,2-hydroxy-5,9,13-trimethyl-, (2a,4b,5b,8a,9b,10a,13a,14b)-)
468-67-7 structure
Product Name:24,25,26-Trinoroleanan-3-one,2-hydroxy-5,9,13-trimethyl-, (2a,4b,5b,8a,9b,10a,13a,14b)-
24,25,26-Trinoroleanan-3-one,2-hydroxy-5,9,13-trimethyl-, (2a,4b,5b,8a,9b,10a,13a,14b)- Chemical and Physical Properties
Names and Identifiers
-
- 24,25,26-Trinoroleanan-3-one,2-hydroxy-5,9,13-trimethyl-, (2a,4b,5b,8a,9b,10a,13a,14b)-
- 2-hydroxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
- CERIN
- Cerinneat
- 2-hydroxy-4,4a,6b,8a,11,11,12b,14a-octamethylicosahydropicen-3(2h)-one
- 2α-hydroxyfriedel-3-one
- 2α-Hydroxy-friedelan-3-on
- 2α-hydroxyfriedelan-3-one
- 2α-hydroxy-friedelan-3-one
- 2α-Hydroxyfriedelin (Cerin)
- AC1L6R1D
- AC1Q6OKM
- AG-K-52055
- AR-1E2394
- CTK4I9610
- NSC115909
- 468-67-7
- DTXSID60297419
- NSC-115909
-
- Inchi： 1S/C30H50O2/c1-19-24(32)20(31)17-22-27(19,5)10-9-21-28(22,6)14-16-30(8)23-18-25(2,3)11-12-26(23,4)13-15-29(21,30)7/h19-23,31H,9-18H2,1-8H3
- InChI Key： DSEKYWAQQVUQTP-UHFFFAOYSA-N
- SMILES： OC1C(C(C)C2(C)CCC3C(C)(CCC4(C)C5CC(C)(C)CCC5(C)CCC43C)C2C1)=O
Computed Properties
- Exact Mass: 442.38100
- Monoisotopic Mass: 442.381
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 32
- Rotatable Bond Count: 0
- Complexity: 816
- 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: 9.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.006
- Boiling Point: 510.1°Cat760mmHg
- Flash Point: 215.9°C
- Refractive Index: 1.514
- PSA: 37.30000
- LogP: 7.42780
24,25,26-Trinoroleanan-3-one,2-hydroxy-5,9,13-trimethyl-, (2a,4b,5b,8a,9b,10a,13a,14b)- Related Literature
-
1. Friedelin and related compounds. Part IX. Pachysandiol-A and isomeric friedelane-2,3-diolsAntonio S. Samson,S. J. Stevenson,Robert Stevenson J. Chem. Soc. C 1968 2342
-
2. Friedelane triterpenoids: transformations toward A-ring modifications including 2-homoderivativesJayanta Das,Antara Sarkar,Pranab Ghosh New J. Chem. 2018 42 6673
-
C. W. Shoppee,M. E. H. Howden,G. A. R. Johnston J. Chem. Soc. 1962 498
-
4. 469. Triterpenoids. Part LII. The constitution and stereochemistry of friedelin and cerinGeorge Brownlie,F. S. Spring,Robert Stevenson,W. S. Strachan J. Chem. Soc. 1956 2419
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5. LXVII.—Chemical examination of the oleo-resin of dacryodes hexandraAndrew More J. Chem. Soc. Trans. 1899 75 718
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