Cas no 29722-71-2 ((20S)-1α,15β-Dihydroxy-4β-methyl-16-methylene-7α,20-cycloveatchan-12-one)
29722-71-2 structure
Product Name:(20S)-1α,15β-Dihydroxy-4β-methyl-16-methylene-7α,20-cycloveatchan-12-one
CAS No:29722-71-2
MF:C20H27NO3
MW:329.433285951614
CID:255456
Update Time:2024-03-04
(20S)-1α,15β-Dihydroxy-4β-methyl-16-methylene-7α,20-cycloveatchan-12-one Chemical and Physical Properties
Names and Identifiers
-
- 12,3,6a-Ethanylylidene-9,11a-methanoazuleno[2,1-b]azocin-8(9H)-one,dodecahydro-6,11-dihydroxy-3-methyl-10-methylene-,(3R,6S,6aR,6bR,9S,11R,11aR,12R,12aR,14R)- (9CI)
- (20S)-1α,15β-Dihydroxy-4β-methyl-16-methylene-7α,20-cycloveatchan-12-one
- 12,3,6a-Ethanylylidene-9,11a-methanoazuleno[2,1-b]azocin-8(9H)-one,dodecahydro-6,11-dihydroxy-3-methyl-10-methylene-, [3R-(3a,6b,6aa,6ba,9b,11a,11ab,12a,12ab,14R*)]-
- 7,20-Cycloveatchan-12-one,1,15-dihydroxy-4-methyl-16-methylene-, (1a,15b)-
- N-Deethylsongorine
- Norsongorine
- Songorine, N-deethyl- (8CI)
- CID 101683076
- 7,20-Cycloveatchan-12-one, 1,15-dihydroxy-4-methyl-16-methylene-, (1α,15β)-
-
- Inchi： 1S/C20H27NO3/c1-9-10-7-19(17(9)24)11-5-13-18(2)4-3-15(23)20(13,16(11)21-8-18)14(19)6-12(10)22/h10-11,13-17,21,23-24H,1,3-8H2,2H3/t10-,11+,13-,14-,15+,16+,17-,18+,19+,20+/m1/s1
- InChI Key： MWZJXBFZRGVUDV-XQYFLZIMSA-N
- SMILES： O[C@H]1CC[C@@]2(C)CN[C@H]3[C@@H]4C[C@H]2[C@@]31[C@@H]1CC([C@H]2C(=C)[C@H]([C@@]41C2)O)=O
Computed Properties
- Exact Mass: 329.199
- Monoisotopic Mass: 329.199
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 0
- Complexity: 690
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 69.6
- XLogP3: 0.0389999999999999
Experimental Properties
- Density: 1.34±0.1 g/cm3(Predicted)
- Melting Point: 155-6°C
- Boiling Point: 530.9±50.0 °C(Predicted)
- pka: 14.21±0.60(Predicted)
(20S)-1α,15β-Dihydroxy-4β-methyl-16-methylene-7α,20-cycloveatchan-12-one Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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