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Friedelin-3,4-lactone

CAT: 0804-HY-N9292Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N9292Size:1 Each
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Description
Friedelin-3,4-lactone (Compound 4) is a triterpene can be isolated from the leaves of Garcia parViflora with weak antitumor activity[1].
CAS Number
29621-75-8
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/friedelin-3-4-lactone.html
Solubility
10 mM in DMSO
Smiles
C[C@@]12[C@]([C@@]3([H])[C@@](CC1)(CCC(C)(C3)C)C)(CC[C@@]4([C@]2([H])CC[C@]5([C@@]4([H])CCC(O[C@@H]5C)=O)C)C)C
Molecular Formula
C30H50O2
Molecular Weight
442.72
References & Citations
[1]Reyes BM, et al. Triterpenes from Garcia parviflora. Cytotoxic evaluation of natural and semisynthetic friedelanes. J Nat Prod. 2010 Nov 29;73 (11) :1839-45.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Friedelin-3,4-Lactone

Friedelin-3,4-lactone is a pentacyclic triterpenoid isolated from the leaves of Garcia parviflora. It is a pentacyclic triterpenoid, a terpene lactone and an epsilon-lactone. It is functionally related to a friedelin.

CAS Number29621-75-8
PubChem CID14105790
IUPAC Name(1S,2R,5R,10R,11S,14R,15S,20R,21S)-2,5,8,8,11,14,20,21-octamethyl-19-oxapentacyclo[12.9.0.02,11.05,10.015,21]tricosan-18-one
Molecular FormulaC30H50O2
Molecular Weight442.7
XLogP9.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count32
Formal Charge0
Complexity801
SMILES
C[C@@H]1[C@]2(CC[C@H]3[C@]([C@@H]2CCC(=O)O1)(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C
InChI
InChI=1S/C30H50O2/c1-20-27(5)12-11-22-28(6,21(27)9-10-24(31)32-20)16-18-30(8)23-19-25(2,3)13-14-26(23,4)15-17-29(22,30)7/h20-23H,9-19H2,1-8H3/t20-,21-,22+,23-,26-,27-,28+,29-,30+/m1/s1
InChIKey
UYYLYVBSUPHXSX-PFTFKKIYSA-N
Chemical Structure
2D Structure
2D structure of Friedelin-3,4-Lactone
CAS: 29621-75-8
CID: 14105790
Formula: C30H50O2
MW: 442.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.7
XLogP39.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass442.381080833
Monoisotopic Mass442.381080833
Topological Polar Surface Area26.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity801
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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