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Physalin C

CAT: 0013-GTR19221895-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221895-01Size:1 mg
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Description
Physalin C is a secosteroid natural product (C28H36O10) isolated from Physalis alkekengi. This yellow powder exhibits anticancer, antifungal, and antiviral activities, making it a compound of interest for pharmacological research in both in vitro and in vivo experimental models.
CAS Number
27503-33-9
Field of Research
Metabolism Research
Smiles
C[C@@]12[C@]34[C@] ([C@]5 (C) C[C@H]1OC (=O) C5=C) (C (=O) [C@] (O) (O3) [C@]6 ([C@] (CC[C@]4 (O) C (=O) O2) ([C@]7 (C) C (=CC6) CC=CC7=O) [H]) [H]) [H]
Molecular Formula
C28H30O9
Molecular Weight
510.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Physalin C

Physalin C is a physalin.

CAS Number27503-33-9
PubChem CID23597327
IUPAC Name5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
Molecular FormulaC28H30O9
Molecular Weight510.5
XLogP1.1
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Heavy Atom Count37
Formal Charge0
Complexity1310
SMILES
CC12CC(C3(C45C1C(=O)C(O4)(C6CC=C7CC=CC(=O)C7(C6CCC5(C(=O)O3)O)C)O)C)OC(=O)C2=C
InChI
InChI=1S/C28H30O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5,7-8,15-16,18-19,33-34H,1,6,9-12H2,2-4H3
InChIKey
OZDVKLAQLVYYJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Physalin C
CAS: 27503-33-9
CID: 23597327
Formula: C28H30O9
MW: 510.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight510.5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count0
Exact Mass510.18898253
Monoisotopic Mass510.18898253
Topological Polar Surface Area136 Ų
Heavy Atom Count37
Formal Charge0
Complexity1310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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