Cas no 75207-67-9 ( )
structure
Product Name:
CAS No:75207-67-9
MF:C20H28O5
MW:348.433326721191
CID:981580
PubChem ID:433636
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- (14R)-7α,20-Epoxy-6β,7,14-trihydroxykaur-16-en-15-one
- Longikaurin A
- CHEMBL3823566
- DTXSID30996669
- 75207-67-9
- NSC642098
- 6,7,14-Trihydroxy-7,20-epoxykaur-16-en-15-one
- NSC334379
- NSC-334379
- NSC 334379
- Kaur-16-en-15-one, 7,20-epoxy-6,7,14-trihydroxy-, (6beta,7alpha,14R)-
- (2S,5S,8R,10S,11R)-9,10,18-Trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
-
-
- Inchi： 1S/C20H28O5/c1-10-11-5-6-12-18-8-4-7-17(2,3)13(18)16(23)20(24,25-9-18)19(12,14(10)21)15(11)22/h11-13,15-16,22-24H,1,4-9H2,2-3H3/t11-,12-,13+,15?,16-,18?,19-,20?/m0/s1
- InChI Key： PSVHVXLCVSKJGM-QXIAAENJSA-N
- SMILES： O1CC23CCCC(C)(C)[C@H]2[C@@H](C1([C@]12C(C(=C)[C@H](CC[C@@H]31)C2O)=O)O)O
Computed Properties
- Exact Mass: 348.19367399g/mol
- Monoisotopic Mass: 348.19367399g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 686
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 87?2
- XLogP3: 1.4
Experimental Properties
- Density: 1.34
- Boiling Point: 548.2°C at 760 mmHg
- Flash Point: 195.7°C
- Refractive Index: 1.616
- PSA: 86.99000
- LogP: 1.40480
Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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3. An investigation of the electrochemical delithiation process of carbon coated α-Fe2O3nanoparticlesAdrian Brandt,Florian Winter,Sebastian Klamor,Frank Berkemeier,Jatinkumar Rana,Rainer P?ttgen,Andrea Balducci J. Mater. Chem. A, 2013,1, 11229-11236
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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