Cas no 1592431-94-1 (3,3',4',5,5',7-Hexahydroxyflavan-(2→7,4→8)-3,3',4',5,7-pentahydroxyflavan; (2S,2'S,3R,3'R,4α)-form)
1592431-94-1 structure
Product Name:3,3',4',5,5',7-Hexahydroxyflavan-(2→7,4→8)-3,3',4',5,7-pentahydroxyflavan; (2S,2'S,3R,3'R,4α)-form
CAS No:1592431-94-1
MF:C30H24O13
MW:592.503769874573
CID:6774590
Update Time:2024-03-06
3,3',4',5,5',7-Hexahydroxyflavan-(2→7,4→8)-3,3',4',5,7-pentahydroxyflavan; (2S,2'S,3R,3'R,4α)-form Chemical and Physical Properties
Names and Identifiers
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- (2S,3R,8S,14R,15R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-8-(3,4,5-trihydroxyphenyl)-8,14-methano-2H,14H-1-benzopyrano[7,8-d][1,3]benzodioxocin-3,5,11,13,15-pentol
- 3,3',4',5,5',7-Hexahydroxyflavan-(2→7,4→8)-3,3',4',5,7-pentahydroxyflavan; (2S,2'S,3R,3'R,4α)-form
-
- Inchi： 1S/C30H24O13/c31-12-6-17(35)23-21(7-12)42-30(11-4-18(36)26(39)19(37)5-11)29(40)25(23)24-22(43-30)9-15(33)13-8-20(38)27(41-28(13)24)10-1-2-14(32)16(34)3-10/h1-7,9,20,25,27,29,31-40H,8H2
- InChI Key： WODBGULXKVZGQF-UHFFFAOYSA-N
- SMILES： OC1C(C2C=C(O)C(O)=CC=2)OC2C(=C(C=C3C=2C2C(C(C4C=C(O)C(O)=C(O)C=4)(OC4C2=C(O)C=C(O)C=4)O3)O)O)C1
Experimental Properties
- Density: 1.824±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Boiling Point: 949.2±65.0 °C(Predicted)
- pka: 8.76±0.70(Predicted)
3,3',4',5,5',7-Hexahydroxyflavan-(2→7,4→8)-3,3',4',5,7-pentahydroxyflavan; (2S,2'S,3R,3'R,4α)-form Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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