Cas no 156980-44-8 (β-D-Glucopyranosiduronic acid, (3β,4β,20α,21α)-20-carboxy-21,23-dihydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-)

β-D-Glucopyranosiduronic acid, (3β,4β,20α,21α)-20-carboxy-21,23-dihydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl- structure
156980-44-8 structure
Product Name:β-D-Glucopyranosiduronic acid, (3β,4β,20α,21α)-20-carboxy-21,23-dihydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-
CAS No:156980-44-8
MF:C42H64O17
MW:840.957g/molg/mol
CID:154594
Update Time:2024-03-01

β-D-Glucopyranosiduronic acid, (3β,4β,20α,21α)-20-carboxy-21,23-dihydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl- Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,4b,20a,21a)-20-carboxy-21,23-dihydroxy-30-norolean-12-en-3-yl2-O-b-D-glucopyranuronosyl- (9CI)
    • b-D-Glucopyranosiduronic acid, (3b,4b,20a,21a)-20-carboxy-21,23-dihydroxy-30-norolean-12-en-3-yl2-O-b-D-glucopyranuronosyl- (
    • 30-Noroleanane,b-D-glucopyranosiduronic acidderiv.
    • Yunganoside G2
    • CID 101664550
    • β-D-Glucopyranosiduronic acid, (3β,4β,20α,21α)-20-carboxy-21,23-dihydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-
    • Inchi： 1S/C42H64O17/c1-37-13-14-41(5)18(19(37)15-39(3,36(54)55)22(44)16-37)7-8-21-38(2)11-10-23(40(4,17-43)20(38)9-12-42(21,41)6)56-35-31(27(48)26(47)30(58-35)33(52)53)59-34-28(49)24(45)25(46)29(57-34)32(50)51/h7,19-31,34-35,43-49H,8-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,20+,21+,22+,23-,24-,25-,26-,27-,28+,29-,30-,31+,34-,35+,37-,38-,39-,40+,41+,42+/m0/s1
    • InChI Key： UICKYSVCOIQHBZ-IRMYMKROSA-N
    • SMILES： O([C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O1)O)O)O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@]3(C)[C@]4(C)CC[C@@]5(C)C[C@H]([C@](C(=O)O)(C)C[C@H]5C4=CC[C@@H]32)O)[C@@]1(C)CO

Computed Properties

  • Exact Mass: 840.414
  • Monoisotopic Mass: 840.414
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 59
  • Rotatable Bond Count: 8
  • Complexity: 1710
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 21
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 290

Experimental Properties

  • Density: 1.47±0.1 g/cm3(Predicted)
  • Boiling Point: 999.0±65.0 °C(Predicted)
  • pka: 2.76±0.70(Predicted)

β-D-Glucopyranosiduronic acid, (3β,4β,20α,21α)-20-carboxy-21,23-dihydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl- Related Literature

Related Categories

156980-44-8 (β-D-Glucopyranosiduronic acid, (3β,4β,20α,21α)-20-carboxy-21,23-dihydroxy-30-norolean-12-en-3-yl 2-O-β-D-glucopyranuronosyl-) Related Products

Recommended suppliers
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Nantong Boya Environmental Protection Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nantong Boya Environmental Protection Technology Co., Ltd
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Yunnanjiuzhen
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.