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Alisol C 23-acetate

CAT: 0804-HY-N0856-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0856-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Alisol C 23-acetate is a natural product extracted from Alisma orientale, which can significantly reduce delayed-type hypersensitivity reactions.
CAS Number
26575-93-9
Product Name Alternative
23-O-Acetylalisol C; Alisol C monoacetate
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Alisol-C-23-acetate.html
Purity
99.86
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
C[C@@]([C@]([C@@H](O)C1)([H])[C@]2(CCC3=O)C)(CC[C@@]2([H])C3(C)C)[C@](C1=C([C@H](C)C[C@@H]([C@]4([H])C(C)(C)O4)OC(C)=O)C5=O)(C5)C
Molecular Formula
C32H48O6
Molecular Weight
528.72
References & Citations
[1]Lee JH, et al. The rhizomes of Alisma orientale and alisol derivatives inhibit allergic response and experimental atopic dermatitis. Biol Pharm Bull. 2012;35 (9) :1581-7.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

alisol C 23-acetate

Alisol C 23-acetate is a triterpenoid.

CAS Number26575-93-9
PubChem CID14036813
IUPAC Name[(1S,3R)-1-[(2R)-3,3-dimethyloxiran-2-yl]-3-[(5R,8S,9S,10S,11S,14R)-11-hydroxy-4,4,8,10,14-pentamethyl-3,16-dioxo-2,5,6,7,9,11,12,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] acetate
Molecular FormulaC32H48O6
Molecular Weight528.7
XLogP4.5
Topological Polar Surface Area93.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1100
SMILES
C[C@H](C[C@@H]([C@@H]1C(O1)(C)C)OC(=O)C)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C([C@@H]5CC[C@@]4([C@]3(CC2=O)C)C)(C)C)C)O
InChI
InChI=1S/C32H48O6/c1-17(14-22(37-18(2)33)27-29(5,6)38-27)25-19-15-20(34)26-30(7)12-11-24(36)28(3,4)23(30)10-13-31(26,8)32(19,9)16-21(25)35/h17,20,22-23,26-27,34H,10-16H2,1-9H3/t17-,20+,22+,23+,26+,27-,30+,31+,32+/m1/s1
InChIKey
KOOCQNIPRJEMDH-QSKXMHMESA-N
Chemical Structure
2D Structure
2D structure of alisol C 23-acetate
CAS: 26575-93-9
CID: 14036813
Formula: C32H48O6
MW: 528.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.7
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass528.34508925
Monoisotopic Mass528.34508925
Topological Polar Surface Area93.2 Ų
Heavy Atom Count38
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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HY-126365Alisol B acetate
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HY-107315-01Alisol F 24-acetate
HY-N0853ARAlisol A 24-acetate (Standard)
HY-N6570Alisol C
HY-N0853-01Alisol A

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UAA86575-01Alisol A 23-acetate
379541Alisol E 23-acetate
AB1198Alisol B 23-acetate
DJA09518-01Alisol K 23-acetate
T5S2245-01Alisol C 23-acetate
AB1085Alisol C-23-acetate

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