Products for Research Use Only

Epifriedelanol acetate

CAT: 0804-HY-122960Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-122960Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Epifriedelanol acetate (Compound IIIc) is a nature product. Epifriedelanol acetate can be isolated from Pachysandra terminalis Sieb[1].
CAS Number
2259-07-6
UNSPSC
12352211
Target
Cannabinoid Receptor
Type
Natural Products
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/epifriedelanol-acetate.html
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@]3([H])[C@]([C@@]4([H])[C@@](C)([C@H]([C@@H](OC(C)=O)CC4)C)CC3)(CC[C@]1([C@@]5([H])[C@](C)(CCC(C)(C)C5)CC2)C)C
Molecular Formula
C32H54O2
Molecular Weight
470.77
References & Citations
[1]Md Afjalus Siraj, et al. Molecular Docking and Molecular Dynamics Simulation Studies of Triterpenes from Vernonia patula with the Cannabinoid Type 1 Receptor. Int J Mol Sci. 12021 Mar 30;22 (7) :3595|[2]Kikuchi T, et al. Studies on the neutral constituents of Pachysandra terminalis Sieb, et Zucc. I. Isolation and characterization of sterols and triterpenes. Yakugaku Zasshi. 1969 Oct;89 (10) :1358-66. Japanese.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Epifriedelanol acetate

(3S,4R,4aS,6aS,6bR,8aR,12aR,12bS,14aS,14bS)-4,4a,6b,8a,11,11,12b,14a-octamethyl-hexadecahydropicen-3-yl acetate has been reported in Reissantia grahamii with data available.

CAS Number2259-07-6
PubChem CID13688748
IUPAC Name[(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-yl] acetate
Molecular FormulaC32H54O2
Molecular Weight470.8
XLogP10.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity846
SMILES
C[C@H]1[C@H](CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C)OC(=O)C
InChI
InChI=1S/C32H54O2/c1-21-23(34-22(2)33)10-11-24-29(21,6)13-12-25-30(24,7)17-19-32(9)26-20-27(3,4)14-15-28(26,5)16-18-31(25,32)8/h21,23-26H,10-20H2,1-9H3/t21-,23-,24+,25-,26+,28+,29+,30-,31+,32-/m0/s1
InChIKey
NXKDUDYUASKXAY-CSVRJXMTSA-N
Chemical Structure
2D Structure
2D structure of Epifriedelanol acetate
CAS: 2259-07-6
CID: 13688748
Formula: C32H54O2
MW: 470.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight470.8
XLogP310.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass470.412380961
Monoisotopic Mass470.412380961
Topological Polar Surface Area26.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity846
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes