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Physalin F

CAT: 0926-HCA42371-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-HCA42371-03Size:25 mg
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CAS Number
57423-71-9
Smiles
CC (C) (C) C1=NC (=CC (=O) N1) Cl
Molecular Formula
C28H30O10
Molecular Weight
526.5 g/mol
Controlled
No

Chemical Information

Physalin F

Physalin F is a physalin with antimalarial and antitumour activities isolated from Physalis angulata. It has a role as an antineoplastic agent, an immunosuppressive agent, an antimalarial, an apoptosis inducer and an antileishmanial agent. It is an epoxy steroid, a lactone, an enone and a physalin.

CAS Number57423-71-9
PubChem CID49864133
IUPAC Name(1R,2R,4R,6S,11R,12S,15S,18S,19R,20S,21S,23R,26S)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone
Molecular FormulaC28H30O10
Molecular Weight526.5
XLogP0.1
Topological Polar Surface Area138
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Heavy Atom Count38
Formal Charge0
Complexity1340
SMILES
C[C@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@](O5)([C@@H]7C[C@@H]8[C@]9(O8)CC=CC(=O)[C@@]9([C@H]7CC[C@]6(C(=O)O4)O)C)OC[C@H]2C(=O)O3)C
InChI
InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3/t12-,13+,14-,16+,17+,18-,22+,23-,24-,25+,26+,27+,28-/m0/s1
InChIKey
VSLWNSSUMFSGFF-DKOLRWHASA-N
Chemical Structure
2D Structure
2D structure of Physalin F
CAS: 57423-71-9
CID: 49864133
Formula: C28H30O10
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass526.18389715
Monoisotopic Mass526.18389715
Topological Polar Surface Area138 Ų
Heavy Atom Count38
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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