Cas no 114637-83-1 (Methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate)

Methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate structure
114637-83-1 structure
Product Name:Methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
CAS No:114637-83-1
MF:C26H26O12
MW:530.477448940277
CID:177165
PubChem ID:10392218
Update Time:2024-11-04

Methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanecarboxylicacid,3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-,methyl ester, (1S,3R,4R,5R)-
    • Cyclohexanecarboxylicacid,3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,5-dihydroxy-,methyl ester, (1S,3R,
    • 3,4-O-Dicaffeoyl quinic acid methyl ester
    • Cyclohexanecarboxylic acid,3,4-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-, methylester, [1S-[1a,3b(E),4a(E),5a]]-
    • Cyclohexanecarboxylicacid,3,4-bis[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,5-dihydroxy-,methyl ester, (1S,3R,4R,5R)- (9CI)
    • Macroantoin F
    • Methyl3,4-di-O-trans-caffeoyl quinate
    • 3,4-Di-O-caffeoylquinic acid methyl ester
    • 4,5-DCQA-Me
    • Methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-
    • 3,4-Di-O-caffeoyl quinic acid methyl ester
    • CHEMBL464371
    • CS-0144262
    • AKOS040761060
    • BDBM50455381
    • FS-7143
    • methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
    • HY-N8448
    • 114637-83-1
    • 3,4-Dicaffeoyl quinic acid
    • (-)-3,4-Dicaffeoyl quinic acid
    • 3,4-Di-O-caffeoylquinic methyl ester3,4-Di-O-caffeoyl quinic acid methyl ester; methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
    • 1ST168459
    • 3,4-O-Dicaffeoylquinic acid methyl ester
    • DA-69871
    • Methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
    • Inchi： 1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1
    • InChI Key： PKJBSZTYNDRXEQ-VOHNXBSUSA-N
    • SMILES： O(C(/C=C/C1C=CC(=C(C=1)O)O)=O)[C@@H]1C[C@](C(=O)OC)(C[C@H]([C@H]1OC(/C=C/C1C=CC(=C(C=1)O)O)=O)O)O

Computed Properties

  • Exact Mass: 530.14242626g/mol
  • Monoisotopic Mass: 530.14242626g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 10
  • Complexity: 903
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 200
  • XLogP3: 0.632

Experimental Properties

  • Color/Form: Powder

Methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
ChemFaces
CFN90856-5mg
3,4-Di-O-caffeoylquinic acid methyl ester
 114637-83-1 >=98%
5mg
 $388 2021-07-22
ChemFaces
CFN90856-5mg
3,4-Di-O-caffeoylquinic acid methyl ester
 114637-83-1 >=98%
5mg
 $388 2023-09-19
SHANG HAI TAO SHU Biotechnology Co., Ltd.
TN2872-5 mg
3,4-Di-O-caffeoylquinic acid methyl ester
 114637-83-1
5mg
 ￥4074.00 2022-04-26
TargetMol Chemicals
TN2872-5 mg
3,4-Di-O-caffeoylquinic acid methyl ester
 114637-83-1 98%
5mg
 ￥ 4,074 2023-07-11
TargetMol Chemicals
TN2872-5mg
3,4-Di-O-caffeoylquinic acid methyl ester
 114637-83-1
5mg
 ￥ 4074 2024-07-20
TargetMol Chemicals
TN2872-5mg
3,4-Di-O-caffeoylquinic acid methyl ester
 114637-83-1
5mg
 ￥ 4074 2024-07-24

Methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate Related Literature

Related Categories

114637-83-1 (Methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate) Related Products

Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
NewCan Biotech Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.