Cas no 155969-82-7 (Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-20-methoxy-, (1α,6β,7α,14R,20R)-)
155969-82-7 structure
Product Name:Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-20-methoxy-, (1α,6β,7α,14R,20R)-
CAS No:155969-82-7
MF:C21H30O7
MW:394.458707332611
CID:212998
Update Time:2023-11-19
Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-20-methoxy-, (1α,6β,7α,14R,20R)- Chemical and Physical Properties
Names and Identifiers
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- Kaur-16-en-15-one,7,20-epoxy-1,6,7,14-tetrahydroxy-20-methoxy-, (1a,6b,7a,14R,20R)-
- (-)-RabdoterninE
- Rabdoternin E
- CID 101663493
- Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-20-methoxy-, (1α,6β,7α,14R,20R)-
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- Inchi： 1S/C21H30O7/c1-9-10-5-6-11-19-12(22)7-8-18(2,3)13(19)16(25)21(26,28-17(19)27-4)20(11,14(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+/m0/s1
- InChI Key： UHERRNNNKBWWKU-WALFAIENSA-N
- SMILES： O1[C@H]([C@@]23[C@H](CCC(C)(C)[C@H]2[C@@H]([C@@]1([C@]12C(C(=C)[C@H](CC[C@@H]31)[C@H]2O)=O)O)O)O)OC
Computed Properties
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 28
- Rotatable Bond Count: 1
- Complexity: 764
- Topological Polar Surface Area: 116
Experimental Properties
- Density: 1.41±0.1 g/cm3(Predicted)
- Boiling Point: 613.5±55.0 °C(Predicted)
- pka: 10.47±0.70(Predicted)
Kaur-16-en-15-one, 7,20-epoxy-1,6,7,14-tetrahydroxy-20-methoxy-, (1α,6β,7α,14R,20R)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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