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6-Epiphysalin G

CAT: 0804-HY-N8883Size: 1 EachDry Ice: NoHazardous: No
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Description
6-Epiphysalin G is isolated from natural Physalis alkekengi var. francheti.[1].
CAS Number
76045-38-0
UNSPSC
12352005
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/6-epiphysalin-g.html
Solubility
10 mM in DMSO
Smiles
C[C@@]([C@H](OC1=O)C2)(OC3=O)[C@@]([C@]3(CC[C@@]([C@@]4(C5=CC=CC4=O)C)([H])[C@@]6([H])C[C@H]5O)O)(O[C@@]67C8=O)[C@]8([H])[C@]2([C@@]1([H])CO7)C
Molecular Formula
C28H30O10
Molecular Weight
526.53
References & Citations
[1]Bunsho Makino, et al. Physalins Possessing an Endoperoxy Structrue from Physalis alkekengi var. francheti. Structural Revision of Physalin K. Bull.Chem. 1995, 68:219-226.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

6-Epiphysalin G
CAS Number76045-38-0
PubChem CID145874174
IUPAC Name(1R,2S,5S,8S,9R,15R,17R,18R,21S,24R,26S,27S)-5,15-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosa-11,13-diene-4,10,22,29-tetrone
Molecular FormulaC28H30O10
Molecular Weight526.5
XLogP-0.2
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Heavy Atom Count38
Formal Charge0
Complexity1330
SMILES
C[C@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@](O5)([C@@H]7C[C@H](C8=CC=CC(=O)[C@@]8([C@H]7CC[C@]6(C(=O)O4)O)C)O)OC[C@H]2C(=O)O3)C
InChI
InChI=1S/C28H30O10/c1-23-10-18-25(3)28-19(23)20(31)27(38-28,35-11-15(23)21(32)36-18)14-9-16(29)13-5-4-6-17(30)24(13,2)12(14)7-8-26(28,34)22(33)37-25/h4-6,12,14-16,18-19,29,34H,7-11H2,1-3H3/t12-,14+,15-,16+,18+,19-,23+,24+,25-,26+,27+,28-/m0/s1
InChIKey
CGVBSJOSWAZUIF-NHEONHGESA-N
Chemical Structure
2D Structure
2D structure of 6-Epiphysalin G
CAS: 76045-38-0
CID: 145874174
Formula: C28H30O10
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count0
Exact Mass526.18389715
Monoisotopic Mass526.18389715
Topological Polar Surface Area146 Ų
Heavy Atom Count38
Formal Charge0
Complexity1330
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes