Cas no 37720-78-8 (Kaura-16-ene-3α,7β,19-triol)
Kaura-16-ene-3α,7β,19-triol structure
Product Name:Kaura-16-ene-3α,7β,19-triol
CAS No:37720-78-8
MF:C20H32O3
MW:320.466286659241
CID:1485232
PubChem ID:637194
Update Time:2024-02-29
Kaura-16-ene-3α,7β,19-triol Chemical and Physical Properties
Names and Identifiers
-
- (3alpha,5beta,7beta,8alpha,9beta,10alpha,13alpha)-kaur-16-ene-3,7,19-triol
- Kaura-16-ene-3α,7β,19-triol
- (4S)-Kaur-16-ene-3α,7β,19-triol
- Foliol
- 37720-78-8
- DTXSID20348416
- SCHEMBL1887081
- AC1LCTP4
-
- Inchi： 1S/C20H32O3/c1-12-9-20-10-13(12)4-5-14(20)18(2)7-6-16(22)19(3,11-21)15(18)8-17(20)23/h13-17,21-23H,1,4-11H2,2-3H3/t13-,14+,15+,16-,17+,18+,19-,20+/m1/s1
- InChI Key： ZHAIQJLGKAVXSD-SSADKFRXSA-N
- SMILES： O[C@H]1C[C@@H]2[C@@](C)(CO)[C@@H](CC[C@@]2(C)[C@@H]2CC[C@H]3C(=C)C[C@]21C3)O
Computed Properties
- Exact Mass: 320.23514488g/mol
- Monoisotopic Mass: 320.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 531
- 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
- XLogP3: 3.2
- Topological Polar Surface Area: 60.7?2
Kaura-16-ene-3α,7β,19-triol Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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