Cas no 22848-79-9 (Ergosta-2,24-dien-26-oicacid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-)
22848-79-9 structure
Product Name:Ergosta-2,24-dien-26-oicacid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-
CAS No:22848-79-9
MF:C32H42O8
MW:554.671090602875
CID:260574
PubChem ID:73056
Update Time:2025-04-19
Ergosta-2,24-dien-26-oicacid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)- Chemical and Physical Properties
Names and Identifiers
-
- Ergosta-2,24-dien-26-oicacid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-
- Withaferin A diacetate
- Withaferin-A diacetate
- 22848-79-9
- Cyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one, 4-(acetyloxy)-9-[(1S)-1-[(2S)-5-[(acetyloxy)methyl]-3,6-dihydro-4-methyl-6-oxo-2H-pyran-2-yl]ethyl]-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydro-9a,11b-dimethyl-, (4S,4aS,5aR,6aS,6bS,9R,9aS,11aS,11bR...
- NSC 328416
- NSC328416
- Ergosta-2,24-dien-26-oic acid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, delta-lactone, (4beta,5beta,6beta,22R)-
- [(2S)-2-[(1S)-1-(acetoxy-dimethyl-oxo-[?]yl)ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-yl]methyl acetate
-
- Inchi： 1S/C32H42O8/c1-16-13-25(39-29(36)21(16)15-37-18(3)33)17(2)22-7-8-23-20-14-28-32(40-28)27(38-19(4)34)10-9-26(35)31(32,6)24(20)11-12-30(22,23)5/h9-10,17,20,22-25,27-28H,7-8,11-15H2,1-6H3/t17-,20-,22+,23-,24-,25-,27-,28+,30+,31-,32+/m0/s1
- InChI Key： KKWMXUXYPBDQQX-GCFZBUCOSA-N
- SMILES： O1[C@@H]2C[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@@H]5CC(C)=C(COC(C)=O)C(=O)O5)[C@@]4(C)CC[C@@H]3[C@]3(C(C=C[C@@H]([C@]132)OC(C)=O)=O)C
Computed Properties
- Exact Mass: 554.28796829g/mol
- Monoisotopic Mass: 554.28796829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 40
- Rotatable Bond Count: 7
- Complexity: 1220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 109?2
Ergosta-2,24-dien-26-oicacid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)- Related Literature
-
P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
22848-79-9 (Ergosta-2,24-dien-26-oicacid, 4,27-bis(acetyloxy)-5,6-epoxy-22-hydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-) Related Products
- 56973-41-2(Ergosta-2,24-dien-26-oicacid, 6,7-epoxy-5,22-dihydroxy-1-oxo-, d-lactone, (5a,6a,7a,22R)-)
- 30655-48-2(Ergosta-2,24-dien-26-oicacid, 5,6-epoxy-4,20,22-trihydroxy-1-oxo-, d-lactone, (4b,5b,6b,22R)-)
- 32911-62-9(Withanolide A)
- 5119-48-2(Withaferin A)
- 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)
Recommended suppliers
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
