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Kansuiphorin C

CAT: 0804-HY-125120-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-125120-01Size:5 mg
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Description
Kansuiphorin C ameliorates malignant ascites by modulating gut microbiota and related metabolic functions[1].
CAS Number
133898-77-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/kansuiphorin-c.html
Purity
99.02
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1[C@@]2([H])[C@@]3([H])[C@@](C3(C)C)([H])C[C@@H](C)[C@@](C=C(C)[C@@H]4OC(C)=O)1[C@]4(O)[C@H](OC(C5=CC=CC=C5)=O)C(C)=C2
Molecular Formula
C29H34O6
Molecular Weight
478.58
References & Citations
[1]Zhang Y, et al. Kansuiphorin C and Kansuinin A ameliorate malignant ascites by modulating gut microbiota and related metabolic functions. J Ethnopharmacol. 2020;249:112423.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Kansuiphorin C

Kansuiphorin C has been reported in Euphorbia kansui with data available.

CAS Number133898-77-8
PubChem CID10435206
IUPAC Name[(1S,4S,5R,6R,9S,10R,12R,14R)-4-acetyloxy-5-hydroxy-3,7,11,11,14-pentamethyl-15-oxo-6-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] benzoate
Molecular FormulaC29H34O6
Molecular Weight478.6
XLogP3.7
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity1020
SMILES
C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C)C)O)OC(=O)C5=CC=CC=C5)C
InChI
InChI=1S/C29H34O6/c1-15-12-20-22-21(27(22,5)6)13-17(3)28(23(20)31)14-16(2)25(34-18(4)30)29(28,33)24(15)35-26(32)19-10-8-7-9-11-19/h7-12,14,17,20-22,24-25,33H,13H2,1-6H3/t17-,20+,21-,22+,24-,25+,28+,29+/m1/s1
InChIKey
IDDLQFSLFADOOA-IMNYCCSCSA-N
Chemical Structure
2D Structure
2D structure of Kansuiphorin C
CAS: 133898-77-8
CID: 10435206
Formula: C29H34O6
MW: 478.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.6
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass478.23553880
Monoisotopic Mass478.23553880
Topological Polar Surface Area89.9 Ų
Heavy Atom Count35
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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