Cas no 16625-11-9 (2H-3,7-Methanoazacycloundecino[5,4-b]indol-5-ol,7-ethyl-1,4,5,6,7,8,9,10-octahydro-, (5S,7R)- (9CI))
16625-11-9 structure
Product Name:2H-3,7-Methanoazacycloundecino[5,4-b]indol-5-ol,7-ethyl-1,4,5,6,7,8,9,10-octahydro-, (5S,7R)- (9CI)
CAS No:16625-11-9
MF:C19H26N2O
MW:298.422544956207
CID:147044
Update Time:2024-03-01
2H-3,7-Methanoazacycloundecino[5,4-b]indol-5-ol,7-ethyl-1,4,5,6,7,8,9,10-octahydro-, (5S,7R)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2H-3,7-Methanoazacycloundecino[5,4-b]indol-5-ol,7-ethyl-1,4,5,6,7,8,9,10-octahydro-, (5S,7R)- (9CI)
- 2H-3,7-Methanoazacycloundecino[5,4-b]indol-5-ol,7-ethyl-1,4,5,6,7,8,9,10-octahydro-, [5S-(5R*,7S*)]-
- Conoflorinol B
- Voaphyllinol B (8CI)
- 2H-3,7-Methanoazacycloundecino[5,4-b]indol-5-ol, 7-ethyl-1,4,5,6,7,8,9,10-octahydro-, (5S,7R)- (9CI)
-
- Inchi: 1S/C19H26N2O/c1-2-19-9-7-18-16(15-5-3-4-6-17(15)20-18)8-10-21(13-19)12-14(22)11-19/h3-6,14,20,22H,2,7-13H2,1H3/t14-,19+/m0/s1
- InChI Key: SPZYFIPXSJYCEM-IFXJQAMLSA-N
- SMILES: N1C2=C(C=CC=C2)C2CCN3C[C@@](CC)(C[C@H](O)C3)CCC1=2
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.19±0.1 g/cm3(Predicted)
- Melting Point: 125-127 °C(Solv: cyclohexane (110-82-7))
- Boiling Point: 476.6±45.0 °C(Predicted)
- PSA: 52.54
- pka: 14.74±0.40(Predicted)
2H-3,7-Methanoazacycloundecino[5,4-b]indol-5-ol,7-ethyl-1,4,5,6,7,8,9,10-octahydro-, (5S,7R)- (9CI) Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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