Cas no 121254-49-7 (2-Propenoic acid,3-[(2S,3S)-3-methyloxiranyl]-,4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl ester,(2Z)- (9CI))
![2-Propenoic acid,3-[(2S,3S)-3-methyloxiranyl]-,4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl ester,(2Z)- (9CI) structure](https://ossimg.kuujia.com/scimg/121500/121254-49-7x500.png)
121254-49-7 structure
Product Name:2-Propenoic acid,3-[(2S,3S)-3-methyloxiranyl]-,4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl ester,(2Z)- (9CI)
CAS No:121254-49-7
MF:C24H18O8
MW:434.394927501678
CID:230224
Update Time:2024-03-01
2-Propenoic acid,3-[(2S,3S)-3-methyloxiranyl]-,4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl ester,(2Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid,3-[(2S,3S)-3-methyloxiranyl]-,4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl ester,(2Z)- (9CI)
- 2-Propenoic acid,3-[(2S,3S)-3-methyloxiranyl]-,4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl ester,(2Z)
- 2-Propenoicacid, 3-(3-methyloxiranyl)-,4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl ester,[2S-[2a(Z),3b]]-
- Flavomentin b
- 2-Propenoic acid, 3-[(2S,3S)-3-methyloxiranyl]-, 4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl ester, (2Z)- (9CI)
-
- Inchi： 1S/C24H18O8/c1-12-17(31-12)10-11-18(27)32-24-20(14-4-8-16(26)9-5-14)22(29)21(28)19(23(24)30)13-2-6-15(25)7-3-13/h2-12,17,25-26,28H,1H3/b11-10-/t12-,17-/m0/s1
- InChI Key： HTMKGJVGPMKCNS-UMAATMKPSA-N
- SMILES： C(OC1C(=O)C(C2=CC=C(O)C=C2)=C(O)C(=O)C=1C1=CC=C(O)C=C1)(=O)/C=C\[C@H]1[C@H](C)O1
Computed Properties
- Exact Mass: 272.08309
Experimental Properties
- Density: 1.53±0.1 g/cm3(Predicted)
- Boiling Point: 732.8±60.0 °C(Predicted)
- PSA: 52.54
- pka: 2.36±0.50(Predicted)
2-Propenoic acid,3-[(2S,3S)-3-methyloxiranyl]-,4-hydroxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1,4-cyclohexadien-1-yl ester,(2Z)- (9CI) Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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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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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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