Cas no 128255-12-9 (2-Butenamide, N-[(2b,3b,4b,5a,20S)-4-(acetyloxy)-20-(dimethylamino)-2-hydroxypregnan-3-yl]-2-methyl-,(2E)- (9CI))
![2-Butenamide, N-[(2b,3b,4b,5a,20S)-4-(acetyloxy)-20-(dimethylamino)-2-hydroxypregnan-3-yl]-2-methyl-,(2E)- (9CI) structure](https://ossimg.kuujia.com/scimg/128500/128255-12-9x500.png)
128255-12-9 structure
Product Name:2-Butenamide, N-[(2b,3b,4b,5a,20S)-4-(acetyloxy)-20-(dimethylamino)-2-hydroxypregnan-3-yl]-2-methyl-,(2E)- (9CI)
CAS No:128255-12-9
MF:C30H50N2O4
MW:502.729009151459
CID:226914
Update Time:2024-03-01
2-Butenamide, N-[(2b,3b,4b,5a,20S)-4-(acetyloxy)-20-(dimethylamino)-2-hydroxypregnan-3-yl]-2-methyl-,(2E)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenamide, N-[(2b,3b,4b,5a,20S)-4-(acetyloxy)-20-(dimethylamino)-2-hydroxypregnan-3-yl]-2-methyl-,(2E)- (9CI)
- (+)-Axillarine F
- 2-Butenamide,N-[(2b,3b,4b,5a,20S)-4-(acetyloxy)-20-(dimethylamino)-2-hydroxypregnan-3-yl]-2-methyl-,(E)-
- Axillarine F
- Pregnane, 2-butenamide deriv.
- 2-Butenamide, N-[(2β,3β,4β,5α,20S)-4-(acetyloxy)-20-(dimethylamino)-2-hydroxypregnan-3-yl]-2-methyl-, (2E)- (9CI)
-
- Inchi： 1S/C30H50N2O4/c1-9-17(2)28(35)31-26-25(34)16-30(6)23-14-15-29(5)21(18(3)32(7)8)12-13-22(29)20(23)10-11-24(30)27(26)36-19(4)33/h9,18,20-27,34H,10-16H2,1-8H3,(H,31,35)/b17-9+/t18-,20-,21+,22-,23-,24-,25-,26-,27+,29+,30+/m0/s1
- InChI Key： QDWARQARJPJBNM-MZHFMOSXSA-N
- SMILES： C(N[C@@H]1[C@H](OC(C)=O)[C@@]2([H])[C@](C)(C[C@@H]1O)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@@H](N(C)C)C)CC3)CC2)(=O)/C(/C)=C/C
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.10±0.1 g/cm3(Predicted)
- Boiling Point: 611.6±55.0 °C(Predicted)
- PSA: 52.54
- pka: 14.08±0.70(Predicted)
2-Butenamide, N-[(2b,3b,4b,5a,20S)-4-(acetyloxy)-20-(dimethylamino)-2-hydroxypregnan-3-yl]-2-methyl-,(2E)- (9CI) Related Literature
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Yanyun Wang,Huijun Ma,Galong Li,Fei Gao,Mingli Peng,Hai Ming Fan Nanoscale Horiz., 2019,4, 1450-1459
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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