Cas no 156250-58-7 (b-D-Glucopyranosiduronic acid, (3b,4a,16a,22a)-16,23,28-trihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]- (9CI))

b-D-Glucopyranosiduronic acid, (3b,4a,16a,22a)-16,23,28-trihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]- (9CI) structure
156250-58-7 structure
Product Name:b-D-Glucopyranosiduronic acid, (3b,4a,16a,22a)-16,23,28-trihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]- (9CI)
CAS No:156250-58-7
MF:C58H92O26
MW:1205.33550167084
CID:177639
PubChem ID:10486506
Update Time:2024-03-01

b-D-Glucopyranosiduronic acid, (3b,4a,16a,22a)-16,23,28-trihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]- (9CI) Chemical and Physical Properties

Names and Identifiers

    • b-D-Glucopyranosiduronic acid, (3b,4a,16a,22a)-16,23,28-trihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-b
    • 2)-a-L-arabinopyranosyl-(1&reg
    • 3)]- (9CI)
    • b-D-Glucopyranosiduronic acid, (3b,4a,16a,22a)-16,23,28-trihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1&reg
    • b-D-Glucopyranosiduronic acid, [3b,4a,16a,22a(Z)]-16,23,28-trihydroxy-22-[(2-methyl-1-oxo-2-butenyl)oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1&reg
    • CamelliasaponinC1
    • Oleanane, b-D-glucopyranosiduronic acid deriv.
    • β-D-Glucopyranosiduronic acid, (3β,4α,16α,22α)-16,23,28-trihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]olean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-glucopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→3)]-
    • Camelliasaponin C1
    • (+)-Camelliasaponin C2
    • b-D-Glucopyranosiduronic acid, (3b,4a,16a,22a)-16,23,28-trihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]- (9CI)
    • Inchi： 1S/C58H92O26/c1-9-24(2)48(75)79-34-18-53(3,4)16-26-25-10-11-31-54(5)14-13-33(55(6,22-61)30(54)12-15-56(31,7)57(25,8)17-32(64)58(26,34)23-62)80-52-46(84-50-41(71)39(69)37(67)29(20-60)78-50)43(42(72)44(82-52)47(73)74)81-51-45(35(65)27(63)21-76-51)83-49-40(70)38(68)36(66)28(19-59)77-49/h9-10,26-46,49-52,59-72H,11-23H2,1-8H3,(H,73,74)/b24-9-/t26-,27-,28+,29+,30+,31+,32+,33-,34-,35-,36+,37-,38-,39-,40+,41+,42-,43-,44-,45+,46+,49-,50-,51-,52+,54-,55-,56+,57+,58-/m0/s1
    • InChI Key： KRGSIOSNSSCAMH-UOPXLPJJSA-N
    • SMILES： O[C@@H]1C[C@]2(C)C(=CC[C@@H]3[C@@]4(C)CC[C@@H]([C@@](C)(CO)[C@@H]4CC[C@]32C)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O2)O)O[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@@H](CO)O2)O)O)O)[C@@H]2CC(C)(C)C[C@@H]([C@@]21CO)OC(/C(=C\C)/C)=O

Computed Properties

  • Exact Mass: 1204.58768304g/mol
  • Monoisotopic Mass: 1204.58768304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 15
  • Hydrogen Bond Acceptor Count: 26
  • Heavy Atom Count: 84
  • Rotatable Bond Count: 16
  • Complexity: 2410
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 30
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.3
  • Topological Polar Surface Area: 421?2

b-D-Glucopyranosiduronic acid, (3b,4a,16a,22a)-16,23,28-trihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]- (9CI) Related Literature

Related Categories

156250-58-7 (b-D-Glucopyranosiduronic acid, (3b,4a,16a,22a)-16,23,28-trihydroxy-22-[[(2Z)-2-methyl-1-oxo-2-butenyl]oxy]olean-12-en-3-ylO-b-D-galactopyranosyl-(1®2)-O-[O-b-D-glucopyranosyl-(1®2)-a-L-arabinopyranosyl-(1®3)]- (9CI)) Related Products

Recommended suppliers
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
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd