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Isophysalin G

CAT: 0013-GTR19237130-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237130-02Size:100 mg
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Description
Reference standards. Physalin G analogue.
CAS Number
152221-21-1
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C28H30O10
Molecular Weight
526.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Isophysalin G

(1S,2S,3S,6R,6aS,8aR,10aS,10bR,13S,16aR,17R)-2,3,6,6a,9,10,10a,12,13,16a-Decahydro-8a,13-dihydroxy-2,6a,10b-trimethyl-17,3-(epoxymethano)-1,17:2,6-dimethano-17H-naphtho[1,2-f]furo[3,4-b:2,3-c']bisoxocin-4,8,11,21(1H,8aH,10bH)-tetrone has been reported in Alkekengi officinarum var. franchetii with data available.

CAS Number152221-21-1
PubChem CID44577485
IUPAC Name(1R,2S,5R,8S,9R,12S,17R,18R,21S,24R,26S,27S)-5,12-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-13,15-diene-4,10,22,29-tetrone
Molecular FormulaC28H30O10
Molecular Weight526.5
XLogP-0.5
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=CC8=C[C@H](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(38-28,35-11-16(23)21(32)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)22(33)37-25/h4-5,8,13-16,18-19,29,34H,6-7,9-11H2,1-3H3/t13-,14+,15-,16+,18-,19+,23-,24+,25+,26+,27-,28+/m1/s1
InChIKey
JMNMXSXLYDOMTI-ZIKQACNZSA-N
Chemical Structure
2D Structure
2D structure of Isophysalin G
CAS: 152221-21-1
CID: 44577485
Formula: C28H30O10
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP3-0.5
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

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