Cas no 950181-70-1 ((20S)-6beta,7beta,11beta,14beta-tetrahydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one)
950181-70-1 structure
Product Name:(20S)-6beta,7beta,11beta,14beta-tetrahydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one
CAS No:950181-70-1
MF:C21H30O7
MW:394.458707332611
CID:2036162
Update Time:2025-04-21
(20S)-6beta,7beta,11beta,14beta-tetrahydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one Chemical and Physical Properties
Names and Identifiers
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- (20S)-6beta,7beta,11beta,14beta-tetrahydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one
- xerophilusin XII
- (-)-Xerophilusin XII
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- Inchi： 1S/C21H30O7/c1-9-10-8-11(22)12-19-7-5-6-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(12,14(9)23)15(10)24/h10-13,15-17,22,24-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,15-,16+,17+,19-,20+,21-/m1/s1
- InChI Key： XHYABSFBWXRDOI-KVTWQIASSA-N
- SMILES： [C@H]12C(=C)C(=O)[C@@]3([C@H]([C@@]45[C@@H](OC)O[C@]3(O)[C@@H](O)[C@@H]4C(C)(C)CCC5)[C@@H](O)C1)[C@@H]2O
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- XLogP3: 0.443
(20S)-6beta,7beta,11beta,14beta-tetrahydroxy-20-methoxy-7alpha,20-epoxy-ent-kaur-16-en-15-one Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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