Cas no 104017-79-0 (2-Butenoic acid,4-(acetyloxy)-3-methyl-,(1S,3S)-1-[4-[(acetyloxy)methyl]-2,5-dihydro-2-[(2S)-2-hydroxy-3-methoxy-2-methyl-3-oxopropylidene]-5-oxo-3-furanyl]-3-methyl-4-oxopentylester, (2Z)- (9CI))
![2-Butenoic acid,4-(acetyloxy)-3-methyl-,(1S,3S)-1-[4-[(acetyloxy)methyl]-2,5-dihydro-2-[(2S)-2-hydroxy-3-methoxy-2-methyl-3-oxopropylidene]-5-oxo-3-furanyl]-3-methyl-4-oxopentylester, (2Z)- (9CI) structure](https://ossimg.kuujia.com/scimg/104500/104017-79-0x500.png)
104017-79-0 structure
Product Name:2-Butenoic acid,4-(acetyloxy)-3-methyl-,(1S,3S)-1-[4-[(acetyloxy)methyl]-2,5-dihydro-2-[(2S)-2-hydroxy-3-methoxy-2-methyl-3-oxopropylidene]-5-oxo-3-furanyl]-3-methyl-4-oxopentylester, (2Z)- (9CI)
CAS No:104017-79-0
MF:C25H32O12
MW:524.514389038086
CID:200073
Update Time:2024-03-01
2-Butenoic acid,4-(acetyloxy)-3-methyl-,(1S,3S)-1-[4-[(acetyloxy)methyl]-2,5-dihydro-2-[(2S)-2-hydroxy-3-methoxy-2-methyl-3-oxopropylidene]-5-oxo-3-furanyl]-3-methyl-4-oxopentylester, (2Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,4-(acetyloxy)-3-methyl-,(1S,3S)-1-[4-[(acetyloxy)methyl]-2,5-dihydro-2-[(2S)-2-hydroxy-3-methoxy-2-methyl-3-oxopropylidene]-5-oxo-3-furanyl]-3-methyl-4-oxopentylester, (2Z)- (9CI)
- 2-Butenoic acid,4-(acetyloxy)-3-methyl-,(1S,3S)-1-[4-[(acetyloxy)methyl]-2,5-dihydro-2-[(2S)-2-hydroxy-3-methoxy-2-methyl-3-o
- 2-Butenoicacid, 4-(acetyloxy)-3-methyl-,1-[4-[(acetyloxy)methyl]-2,5-dihydro-2-(2-hydroxy-3-methoxy-2-methyl-3-oxopropylidene)-5-oxo-3-furanyl]-3-methyl-4-oxopentylester, [1S-[1R*(Z),1(R*),3R*]]-
- Poskeanolide
-
- Inchi： 1S/C25H32O12/c1-13(11-34-16(4)27)8-21(29)36-19(9-14(2)15(3)26)22-18(12-35-17(5)28)23(30)37-20(22)10-25(6,32)24(31)33-7/h8,10,14,19,32H,9,11-12H2,1-7H3/b13-8-,20-10+/t14-,19-,25-/m0/s1
- InChI Key： YHSOUNOGWMIWPB-PUTMCGSVSA-N
- SMILES： C(O[C@H](C1=C(COC(C)=O)C(=O)O/C/1=C/[C@@](O)(C)C(OC)=O)C[C@H](C)C(=O)C)(=O)/C=C(/C)\COC(C)=O
Computed Properties
- Exact Mass: 272.08309
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 37
- XLogP3: 0.518
Experimental Properties
- PSA: 52.54
2-Butenoic acid,4-(acetyloxy)-3-methyl-,(1S,3S)-1-[4-[(acetyloxy)methyl]-2,5-dihydro-2-[(2S)-2-hydroxy-3-methoxy-2-methyl-3-oxopropylidene]-5-oxo-3-furanyl]-3-methyl-4-oxopentylester, (2Z)- (9CI) Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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