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Physalin X

CAT: 0931-TN7372-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7372-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72497-31-5
Target
Others
Related Pathways
Others
Bioactivity
Physalin X demonstrated the capability to inhibit NO production, exhibiting an IC50 value of 68.50μM.
Smiles
C[C@]12[C@]34[C@]5([C@](C(=O)O3)([C@]6([C@](CC[C@@]4(O)C(=O)O1)([C@]7(C)C(C=C6)=C[C@H](O)CC7=O)[H])[H])OC[C@@]8([C@]5(C)C[C@]2(OC8=O)[H])[H])[H]
Molecular Formula
C28H30O10
Molecular Weight
526.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R,2S,5S,8S,9R,17R,18S,21S,24R,26S,27S)-5,12-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-13,15-diene-4,10,22,29-tetrone

Physalin X has been reported in Alkekengi officinarum var. franchetii with data available.

CAS Number72497-31-5
PubChem CID162639171
IUPAC Name(1R,2S,5S,8S,9R,17R,18S,21S,24R,26S,27S)-5,12-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-13,15-diene-4,10,22,29-tetrone
Molecular FormulaC28H30O10
Molecular Weight526.5
XLogP-0.1
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]1[C@@]([C@@H]7C=CC8=CC(CC(=O)[C@@]8([C@H]7CC[C@]5(C(=O)O4)O)C)O)(C(=O)O6)OC[C@H]2C(=O)O3)C
InChI
InChI=1S/C28H30O10/c1-23-10-18-25(3)28-20(23)27(22(33)38-28,35-11-16(23)19(31)36-18)15-5-4-12-8-13(29)9-17(30)24(12,2)14(15)6-7-26(28,34)21(32)37-25/h4-5,8,13-16,18,20,29,34H,6-7,9-11H2,1-3H3/t13?,14-,15+,16-,18+,20+,23+,24-,25-,26+,27-,28-/m0/s1
InChIKey
YANMOPNMEHOFDO-VSGACOMMSA-N
Chemical Structure
2D Structure
2D structure of (1R,2S,5S,8S,9R,17R,18S,21S,24R,26S,27S)-5,12-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-13,15-diene-4,10,22,29-tetrone
CAS: 72497-31-5
CID: 162639171
Formula: C28H30O10
MW: 526.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
XLogP3-0.1
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 Count11
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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