Cas no 182693-36-3 (Cevane-1,3,4,7,14,15,16,20-octol, 4,9-epoxy-, 1-acetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (1α,3β,4α,7α,15α,16β)- (9CI))
182693-36-3 structure
Product Name:Cevane-1,3,4,7,14,15,16,20-octol, 4,9-epoxy-, 1-acetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (1α,3β,4α,7α,15α,16β)- (9CI)
CAS No:182693-36-3
MF:C39H61NO13
MW:751.90055346489
CID:235784
Update Time:2024-03-01
Cevane-1,3,4,7,14,15,16,20-octol, 4,9-epoxy-, 1-acetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (1α,3β,4α,7α,15α,16β)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Cevane-1,3,4,7,14,15,16,20-octol,4,9-epoxy-, 1-acetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate),(1a,3b,4a,7a,15a,16b)- (9CI)
- Cevane-1,3,4,7,14,15,16,20-octol,4,9-epoxy-, 1-acetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate),(1a,3b,4a,7a,15
- (-)-Neojerminalanine
- Neojerminalanine
- CID 102247145
- Cevane-1,3,4,7,14,15,16,20-octol, 4,9-epoxy-, 1-acetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (1α,3β,4α,7α,15α,16β)- (9CI)
-
- Inchi： 1S/C39H61NO13/c1-9-19(4)32(44)52-31-29(43)28-21(17-40-16-18(3)11-12-25(40)36(28,8)47)22-15-37-30(38(22,31)48)23(42)13-24-35(37,7)26(50-20(5)41)14-27(39(24,49)53-37)51-33(45)34(6,46)10-2/h18-19,21-31,42-43,46-49H,9-17H2,1-8H3/t18-,19?,21-,22-,23+,24-,25-,26-,27-,28+,29+,30+,31-,34?,35+,36?,37+,38-,39-/m0/s1
- InChI Key： RCDFKDXMJYWZIU-FBAKCHPYSA-N
- SMILES： O1[C@@]2([C@H](C[C@@H]([C@@]3(C)[C@@H]2C[C@H]([C@H]2[C@@]4([C@H]([C@@H]([C@@H]5C(C)([C@@H]6CC[C@H](C)CN6C[C@H]5[C@@H]4C[C@]132)O)O)OC(C(C)CC)=O)O)O)OC(C)=O)OC(C(C)(CC)O)=O)O
Computed Properties
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 14
- Heavy Atom Count: 53
- Rotatable Bond Count: 10
- Complexity: 1510
- Topological Polar Surface Area: 213
- XLogP3: 1.161
Experimental Properties
- Density: 1.37±0.1 g/cm3(Predicted)
- Boiling Point: 818.3±65.0 °C(Predicted)
- pka: 10.85±0.70(Predicted)
Cevane-1,3,4,7,14,15,16,20-octol, 4,9-epoxy-, 1-acetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (1α,3β,4α,7α,15α,16β)- (9CI) Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
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
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cerveratrum-type alkaloids
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal alkaloids Cerveratrum-type alkaloids
182693-36-3 (Cevane-1,3,4,7,14,15,16,20-octol, 4,9-epoxy-, 1-acetate 3-(2-hydroxy-2-methylbutanoate) 15-(2-methylbutanoate), (1α,3β,4α,7α,15α,16β)- (9CI)) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
