Cas no 114593-86-1 (Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-(4-methoxy-1,4-dioxobutoxy)-, (11b)-)
114593-86-1 structure
Product Name:Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-(4-methoxy-1,4-dioxobutoxy)-, (11b)-
CAS No:114593-86-1
MF:C26H36O8
MW:476.559248924255
CID:192625
Update Time:2024-01-26
Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-(4-methoxy-1,4-dioxobutoxy)-, (11b)- Chemical and Physical Properties
Names and Identifiers
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- Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-(4-methoxy-1,4-dioxobutoxy)-, (11b)-
- Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(4-methoxy-1,4-dioxobutoxy)-, (11β)-
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- Inchi： 1S/C26H36O8/c1-24-10-8-16(27)12-15(24)4-5-17-18-9-11-26(32,25(18,2)13-19(28)23(17)24)20(29)14-34-22(31)7-6-21(30)33-3/h12,17-19,23,28,32H,4-11,13-14H2,1-3H3/t17-,18-,19-,23+,24-,25-,26-/m0/s1
- InChI Key： TXRWBTDSZZVCHI-JTUCLMINSA-N
- SMILES： C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](C[C@@H]1O)(C)[C@@](O)(C(=O)COC(=O)CCC(OC)=O)CC3)CC2
Computed Properties
- Exact Mass: 478.25674
Experimental Properties
- Density: 1.28±0.1 g/cm3(Predicted)
- Boiling Point: 637.4±55.0 °C(Predicted)
- PSA: 130.36
- pka: 12.32±0.70(Predicted)
Pregn-4-ene-3,20-dione,11,17-dihydroxy-21-(4-methoxy-1,4-dioxobutoxy)-, (11b)- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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