Cas no 107598-47-0 ((5beta,7alpha,9beta,10alpha,15alpha,16beta)-15,16-epoxykaurane-7,17,19-triol)
107598-47-0 structure
Product Name:(5beta,7alpha,9beta,10alpha,15alpha,16beta)-15,16-epoxykaurane-7,17,19-triol
CAS No:107598-47-0
MF:C20H32O4
MW:336.465686798096
CID:1184450
PubChem ID:118987276
Update Time:2025-04-20
(5beta,7alpha,9beta,10alpha,15alpha,16beta)-15,16-epoxykaurane-7,17,19-triol Chemical and Physical Properties
Names and Identifiers
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- (5beta,7alpha,9beta,10alpha,15alpha,16beta)-15,16-epoxykaurane-7,17,19-triol
- Kaurane-7,17,18-triol, 15,16-epoxy-, (4beta,7alpha,15alpha)-
- Epoxysinfernol
- 107598-47-0
-
- Inchi： 1S/C20H32O4/c1-17(10-21)6-3-7-18(2)13-5-4-12-9-19(13,15(23)8-14(17)18)16-20(12,11-22)24-16/h12-16,21-23H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18+,19-,20+/m1/s1
- InChI Key： SZQODOFRJMJMMC-NBWKEMLCSA-N
- SMILES： O1[C@@]2(CO)[C@@H]3CC[C@H]4[C@]5(C)CCC[C@](C)(CO)[C@H]5C[C@H]([C@]4(C3)[C@@H]12)O
Computed Properties
- Exact Mass: 336.23016
- Monoisotopic Mass: 336.23005950g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 566
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 9
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 73.2?2
Experimental Properties
- PSA: 73.22
(5beta,7alpha,9beta,10alpha,15alpha,16beta)-15,16-epoxykaurane-7,17,19-triol Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Szilvia Nagy,János Pipek Phys. Chem. Chem. Phys., 2015,17, 31558-31565
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