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Ciwujianoside C4

CAT: 0804-HY-N12296-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N12296-01Size:1 mg
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Description
Ciwujianoside C4, a saponin compound, can enhance pancreatic lipase activity in vitro[1].
CAS Number
114906-75-1
UNSPSC
12352005
Target
Lipase
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ciwujianoside-c4.html
Solubility
10 mM in DMSO
Smiles
CC(OC[C@H]([C@H]([C@@H]([C@H]1O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O[C@H]1OC[C@H]([C@H]([C@@H]([C@H]3O)O)O)O[C@H]3OC([C@]45[C@](CC(C)(CC5)C)([H])C6=CC[C@@]([C@@]7([C@@](C(C)([C@H](CC7)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)([H])CC%10)C)([H])[C@]%10(C)[C@@]6(CC4)C)=O)=O
Molecular Formula
C61H98O26
Molecular Weight
1247.42
References & Citations
[1]Jiang W, et, al. Biologically active triterpenoid saponins from Acanthopanax senticosus. J Nat Prod. 2006 Nov;69 (11) :1577-81.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

ciwujianoside C4

RHHSFOQSESHVRS-WYRPNKAHSA-N has been reported in Oreopanax guatemalensis and Eleutherococcus senticosus with data available.

CAS Number114906-75-1
PubChem CID21626482
IUPAC Name[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Molecular FormulaC61H98O26
Molecular Weight1247.4
XLogP-0.2
Topological Polar Surface Area399
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count26
Rotatable Bond Count15
Heavy Atom Count87
Formal Charge0
Complexity2470
SMILES
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)[C@@]45CC[C@@]6(C(=CC[C@H]7[C@]6(CC[C@@H]8[C@@]7(CC[C@@H](C8(C)C)O[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)C)C)[C@@H]4CC(CC5)(C)C)C)O)O)O)COC(=O)C)O)O)O
InChI
InChI=1S/C61H98O26/c1-25-36(64)40(68)44(72)51(80-25)85-48-32(24-77-27(3)62)83-50(47(75)43(48)71)79-23-31-39(67)42(70)46(74)53(82-31)87-55(76)61-19-17-56(4,5)21-29(61)28-11-12-34-58(8)15-14-35(57(6,7)33(58)13-16-60(34,10)59(28,9)18-20-61)84-54-49(38(66)30(63)22-78-54)86-52-45(73)41(69)37(65)26(2)81-52/h11,25-26,29-54,63-75H,12-24H2,1-10H3/t25-,26-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39+,40+,41+,42-,43+,44+,45+,46+,47+,48+,49+,50+,51-,52-,53-,54-,58-,59+,60+,61-/m0/s1
InChIKey
RHHSFOQSESHVRS-WYRPNKAHSA-N
Chemical Structure
2D Structure
2D structure of ciwujianoside C4
CAS: 114906-75-1
CID: 21626482
Formula: C61H98O26
MW: 1247.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1247.4
XLogP3-0.2
Hydrogen Bond Donor Count13
Hydrogen Bond Acceptor Count26
Rotatable Bond Count15
Exact Mass1246.63463323
Monoisotopic Mass1246.63463323
Topological Polar Surface Area399 Ų
Heavy Atom Count87
Formal Charge0
Complexity2470
Isotope Atom Count0
Defined Atom Stereocenter Count32
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-N8763-01Ciwujianoside E
HY-N0307-01Ciwujianoside B
HY-N12294-01Ciwujianoside D2
HY-N12297-01Ciwujianoside C2
HY-N12298-01Ciwujianoside C1
HY-N12295-01Ciwujianoside D1
HY-N4133-01Ciwujianoside A1
HY-N4134-01Ciwujianoside C3
HY-N0307RCiwujianoside B (Standard)
HY-148470AC4-Amide-C4-NH2

Alternative Products

CatalogName
N1951-5Ciwujianoside-B
PEA90674-01Ciwujianoside C3
FC173375-01Ciwujianoside E
TBW00827Ciwujianoside A1
MBS5824363Ciwujianoside C1
MBS5824362Ciwujianoside C4
GTR19227671-01Ciwujianoside D2
AB3139Ciwujianoside B
TBZ0181Ciwujianoside D1
MBS5791786Ciwujianoside C2

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