Cas no 16836-28-5 (Kauran-3-one,16,17-dihydroxy-)
Kauran-3-one,16,17-dihydroxy- structure
Product Name:Kauran-3-one,16,17-dihydroxy-
CAS No:16836-28-5
MF:C20H32O3
MW:320.466286659241
CID:199458
PubChem ID:23872027
Update Time:2025-04-19
Kauran-3-one,16,17-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Kauran-3-one,16,17-dihydroxy-
- 16,17-Dihydroxykauran-3-one
- abbeokutone
- 3-keto-(-)-Kaurane-16a,17-diol
- ent-16β,17-Dihydroxy-3-kauranone
- MEGxp0_001792
- ACon0_000544
- 16836-28-5
- (1S,4S,9S,10R,13R,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
- CHEMBL5092790
-
- Inchi： 1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14-,15+,18-,19+,20+/m1/s1
- InChI Key： MPDUJZZNNBJFAB-IPWGKGBGSA-N
- SMILES： O[C@]1(CO)C[C@@]23CC[C@@H]4C(C)(C)C(CC[C@@]4(C)[C@@H]2CC[C@@H]1C3)=O
Computed Properties
- Exact Mass: 320.23526
- Monoisotopic Mass: 320.235
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 541
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 6
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 57.5A^2
- XLogP3: 3
Experimental Properties
- PSA: 57.53
Kauran-3-one,16,17-dihydroxy- Related Literature
-
1. The structure of abbeokutone, a diterpene from Didymosalpinx abbeokutaeD. A. H. Taylor J. Chem. Soc. C 1967 1360
-
2. Index of subjects, 1967
-
3. Index pages
-
4. DiterpenoidsJ. R. Hanson Nat. Prod. Rep. 1991 8 1
-
5. DiterpenoidsJ. R. Hanson Nat. Prod. Rep. 1993 10 159
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