Cas no 53508-35-3 (6-Hydroxy-3-oxoisovoacangine)
6-Hydroxy-3-oxoisovoacangine structure
Product Name:6-Hydroxy-3-oxoisovoacangine
CAS No:53508-35-3
MF:C22H26N2O5
MW:398.452246189117
CID:6766490
Update Time:2024-03-03
6-Hydroxy-3-oxoisovoacangine Chemical and Physical Properties
Names and Identifiers
-
- (-)-6-Hydroxy-3-oxoisovoacangine
- 6-Hydroxy-3-oxoisovoacangine
-
- Inchi： 1S/C22H26N2O5/c1-4-11-7-12-9-22(21(27)29-3)18-17(16(25)10-24(19(11)22)20(12)26)14-6-5-13(28-2)8-15(14)23-18/h5-6,8,11-12,16,19,23,25H,4,7,9-10H2,1-3H3/t11-,12+,16-,19-,22+/m0/s1
- InChI Key： SALCHJKMWLNFPY-SFJXGJRUSA-N
- SMILES： C12[C@@H](O)CN3C([C@@H]4C[C@@H]([C@H]3[C@](C4)(C(OC)=O)C=1NC1C=C(OC)C=CC=12)CC)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 29
- XLogP3: 1.653
6-Hydroxy-3-oxoisovoacangine Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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