Cas no 1350301-61-9 (toonapubesin A)
toonapubesin A structure
Product Name:toonapubesin A
CAS No:1350301-61-9
MF:C30H48O4
MW:472.699729919434
CID:2049679
PubChem ID:56641018
Update Time:2025-04-21
toonapubesin A Chemical and Physical Properties
Names and Identifiers
-
- toonapubesin A
- 1350301-61-9
- CHEMBL3581397
- DTXSID101317342
- (5R,9R,10R,13S,14S,17S)-17-((1R)-1-((2S,3S)-3-((1S)-1,2-dihydroxy-2-methylpropyl)oxiran-2-yl)ethyl)-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta(a)phenanthren-3-one
- (5R,9R,10R,13S,14S,17S)-17-[(1R)-1-[(2S,3S)-3-[(1S)-1,2-dihydroxy-2-methylpropyl]oxiran-2-yl]ethyl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
-
- Inchi： 1S/C30H48O4/c1-17(23-24(34-23)25(32)27(4,5)33)18-11-15-30(8)20-9-10-21-26(2,3)22(31)13-14-28(21,6)19(20)12-16-29(18,30)7/h9,17-19,21,23-25,32-33H,10-16H2,1-8H3/t17-,18+,19+,21+,23+,24-,25+,28-,29+,30-/m1/s1
- InChI Key： ADFOHQSVHIRDGE-BZXSMNKYSA-N
- SMILES： O1[C@@H]([C@@H](C(C)(C)O)O)[C@@H]1[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(CC[C@]4(C)[C@H]3CC[C@]21C)=O
Computed Properties
- Exact Mass: 472.35526001g/mol
- Monoisotopic Mass: 472.35526001g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 34
- Rotatable Bond Count: 4
- Complexity: 904
- 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
- XLogP3: 5.5
- Topological Polar Surface Area: 70.1?2
toonapubesin A Related Literature
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
1350301-61-9 (toonapubesin A) 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
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Reagent
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
