Cas no 104987-36-2 (Oenothein B)
Oenothein B structure
Product Name:Oenothein B
CAS No:104987-36-2
MF:C68H48O44
MW:1569.08234405518
CID:215798
Update Time:2024-11-04
Oenothein B Chemical and Physical Properties
Names and Identifiers
-
- D-Glucose, cyclic4,6-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2-[2-[[(1S)-6,6'-dicarboxy-2,2',3,3',4'-pentahydroxy[1,1'-biphenyl]-4-yl]oxy]-3,4,5-trihydroxybenzoate]3-(3,4,5-trihydroxybenzoate), cyclic ester with D-glucose3-(3,4,5-trihydroxybenzoate)
- D-Glucose, cyclic4,6-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]
- Oenothein B
- D-Glucose, cyclic 4,6-(4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy(1,1'-biphenyl)-2,2'-dicarboxylate) 2-(2-((6,6'-dicarboxy-2,2',3,3',4'-pentahydroxy(1,1'-biphenyl)-4-yl)oxy)-3,4,5-trihydroxybenzoate) 3-(3,4,5-trihydroxybenzoate), cyclic ester with D-glucose 3-(3,4,5-trihydroxybenzoate), (2(S),4(S))-
- XO177839
- Aids085163
- Aids-085163
- D-Glucose, cyclic 4,6-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate] 2-[2-[[(1S)-6,6'-dicarboxy-2,2',3,3',4'-pentahydroxy[1,1'-biphenyl]-4-yl]oxy]-3,4,5-trihydroxybenzoate] 3-(3,4,5-trihydroxybenzoate), cyclic ester with D-glucose 3-(3,4,5-tr...
- D-Glucose, cyclic4,6-[(1S)-4-(6-carboxy-2,3,4-trihydroxyphenoxy)-4',5,5',6,6'-pentahydroxy[1,1'-biphenyl]-2,2'-dicarboxylate]2-[2-[[(1S)-6,6'-dicarboxy-2,2',3,3',4'-pentahydroxy[1,1'-biphenyl]-4-yl]ox
- antitumor,HCV,Hepatitis C virus,ellagitannin,antifungal,antioxidant,Bacterial,inhibit,Oenothein B,Fungal,glycohydrolase,Inhibitor,macrocyclic,poly(ADP-ribose),Apoptosis,anti-HCV,anti-inflammatory
-
- Inchi： 1S/C68H48O44/c69-21-1-13(2-22(70)37(21)77)59(91)109-55-53-32-12-102-62(94)17-9-29(43(83)47(87)35(17)34-16(63(95)107-53)6-26(74)40(80)46(34)86)103-51-19(7-27(75)41(81)49(51)89)65(97)112-58-56(110-60(92)14-3-23(71)38(78)24(72)4-14)54-31(105-68(58)100)11-101-61(93)15-5-25(73)39(79)45(85)33(15)36-18(64(96)108-54)10-30(44(84)48(36)88)104-52-20(8-28(76)42(82)50(52)90)66(98)111-57(55)67(99)106-32/h1-10,31-32,53-58,67-90,99-100H,11-12H2/t31-,32-,53-,54-,55+,56+,57-,58-,67-,68-/m1/s1
- InChI Key： YSLFLCIPPPJEHH-REWRZFNASA-N
- SMILES： C12=C(O)C(=C3OC4C(O)=C(C(O)=CC=4C(=O)O[C@H]4[C@H](O)O[C@@H]5COC(=O)C6C(C7C(O)=C(O)C(O)=CC=7C(=O)O[C@H]5[C@@H]4OC(=O)C4C=C(C(O)=C(O)C=4)O)=C(O)C(O)=C(C=6)OC4C(O)=C(O)C(O)=CC=4C(=O)O[C@H]4[C@H](O)O[C@H](COC(=O)C5C=C(O)C(O)=C(O)C1=5)[C@H]([C@@H]4OC(=O)C1C=C(C(O)=C(O)C=1)O)OC(=O)C2=C3)O)O
Computed Properties
- Exact Mass: 1568.15000
- Monoisotopic Mass: 1570.1674948 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 25
- Hydrogen Bond Acceptor Count: 44
- Heavy Atom Count: 112
- Rotatable Bond Count: 14
- Complexity: 3340
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Molecular Weight: 1571.1
- XLogP3: 1.3
- Topological Polar Surface Area: 744
Experimental Properties
- Color/Form: Not available
- Density: 2.20±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: Not available
- Boiling Point: Not available
- Flash Point: Not available
- Solubility: Insuluble (4.9E-6 g/L) (25 oC),
- PSA: 732.84000
- LogP: 2.17020
- Vapor Pressure: Not available
- pka: 5.67±0.70(Predicted)
Oenothein B Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- WGK Germany：3
- Safety Instruction： H303+H313+H333
- RTECS：LZ7000000
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
Oenothein B Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | O302450-1mg |
Oenothein B |
104987-36-2 | 1mg |
$ 529.00 | 2023-04-16 | ||
| TRC | O302450-2mg |
Oenothein B |
104987-36-2 | 2mg |
$ 1011.00 | 2023-04-16 | ||
| TRC | O302450-5mg |
Oenothein B |
104987-36-2 | 5mg |
$ 1800.00 | 2023-09-06 | ||
| TRC | O302450-10mg |
Oenothein B |
104987-36-2 | 10mg |
$ 4438.00 | 2023-04-16 | ||
| A2B Chem LLC | AE18212-1mg |
oenothein B |
104987-36-2 | 95% | 1mg |
$145.00 | 2024-04-20 | |
| A2B Chem LLC | AE18212-2mg |
oenothein B |
104987-36-2 | 2mg |
$2009.00 | 2024-01-05 | ||
| A2B Chem LLC | AE18212-5mg |
oenothein B |
104987-36-2 | 95% | 5mg |
$385.00 | 2024-04-20 | |
| A2B Chem LLC | AE18212-10mg |
oenothein B |
104987-36-2 | 95% | 10mg |
$555.00 | 2024-04-20 | |
| MedChemExpress | HY-N7765-1mg |
Oenothein B |
104987-36-2 | 95.11% | 1mg |
￥1100 | 2024-07-20 | |
| MedChemExpress | HY-N7765-5mg |
Oenothein B |
104987-36-2 | 95.11% | 5mg |
￥3500 | 2024-07-20 |
Oenothein B Related Literature
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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