Cas no 75207-66-8 ((5beta,6beta,7alpha,9beta,10xi,14S)-6,7,14-trihydroxy-15-oxo-7,20-epoxykaur-16-en-18-yl acetate)
75207-66-8 structure
Product Name:(5beta,6beta,7alpha,9beta,10xi,14S)-6,7,14-trihydroxy-15-oxo-7,20-epoxykaur-16-en-18-yl acetate
CAS No:75207-66-8
MF:C22H30O7
MW:406.469407558441
CID:1772851
Update Time:2024-03-03
(5beta,6beta,7alpha,9beta,10xi,14S)-6,7,14-trihydroxy-15-oxo-7,20-epoxykaur-16-en-18-yl acetate Chemical and Physical Properties
Names and Identifiers
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- (5beta,6beta,7alpha,9beta,10xi,14S)-6,7,14-trihydroxy-15-oxo-7,20-epoxykaur-16-en-18-yl acetate
- Longikaurin B
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- Inchi： 1S/C22H30O7/c1-11-13-5-6-14-20-8-4-7-19(3,9-28-12(2)23)15(20)18(26)22(27,29-10-20)21(14,16(11)24)17(13)25/h13-15,17-18,25-27H,1,4-10H2,2-3H3
- InChI Key： JMCGQPHJXFUMBU-UHFFFAOYSA-N
- SMILES： CC(OCC1(C2C3(C4C5(C(=O)C(=C)C(CC4)C5O)C(C2O)(O)OC3)CCC1)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- XLogP3: 0.675
(5beta,6beta,7alpha,9beta,10xi,14S)-6,7,14-trihydroxy-15-oxo-7,20-epoxykaur-16-en-18-yl acetate Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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