Cas no 114820-26-7 (Cholesta-1,4-dien-26-oicacid, 22-hydroxy-3-oxo-, d-lactone, (22R,25S)- (9CI))
114820-26-7 structure
Product Name:Cholesta-1,4-dien-26-oicacid, 22-hydroxy-3-oxo-, d-lactone, (22R,25S)- (9CI)
CAS No:114820-26-7
MF:C27H38O3
MW:410.58882856369
CID:213607
Update Time:2024-03-01
Cholesta-1,4-dien-26-oicacid, 22-hydroxy-3-oxo-, d-lactone, (22R,25S)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cholesta-1,4-dien-26-oicacid, 22-hydroxy-3-oxo-, d-lactone, (22R,25S)- (9CI)
- Minabeolide4
- Cholesta-1,4-dien-26-oic acid, 22-hydroxy-3-oxo-, δ-lactone, (22R,25S)-
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- Inchi： 1S/C27H38O3/c1-16-5-10-24(30-25(16)29)17(2)21-8-9-22-20-7-6-18-15-19(28)11-13-26(18,3)23(20)12-14-27(21,22)4/h11,13,15-17,20-24H,5-10,12,14H2,1-4H3/t16-,17-,20-,21+,22-,23-,24+,26-,27+/m0/s1
- InChI Key： OIROZVSBVQAEPT-HDSKOFFVSA-N
- SMILES： C[C@]12CC[C@]3([H])[C@]4(C=CC(C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2([H])[C@@H]([C@@]1([H])CC[C@@H](C(O1)=O)C)C)=O)C
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.11±0.1 g/cm3(Predicted)
- Boiling Point: 561.0±19.0 °C(Predicted)
- PSA: 52.54
Cholesta-1,4-dien-26-oicacid, 22-hydroxy-3-oxo-, d-lactone, (22R,25S)- (9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
Related Categories
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Withanolides and derivatives
- Solvents and Organic Chemicals Organic Compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroid lactones Withanolides and derivatives
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