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Omtriptolide sodium

CAT: 0013-GTR19193248-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193248-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Omtriptolide sodium is a small molecule compound for research use. It is applied in biochemical studies, including in vitro assays and in vivo models, to investigate its biological activities and potential mechanisms of action.
CAS Number
195883-09-1
Smiles
[Na].[H][C@]12C[C@@]3 ([H]) C4=C (CC[C@]3 (C) [C@]35O[C@@]3 ([H]) [C@]3 ([H]) OC3 (C (C) C) [C@@H] (OC (=O) CCC (O) =O) [C@]15O2) C (=O) OC4
Molecular Formula
C24H28NaO9
Molecular Weight
483.469
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Omtriptolide Sodium
CAS Number195883-09-1
PubChem CID23663419
IUPAC Namesodium 4-[[(1S,2S,4S,5S,7S,8R,9R,11S,13S)-1-methyl-17-oxo-7-propan-2-yl-3,6,10,16-tetraoxaheptacyclo[11.7.0.02,4.02,9.05,7.09,11.014,18]icos-14(18)-en-8-yl]oxy]-4-oxobutanoate
Molecular FormulaC24H27NaO9
Molecular Weight482.5
Topological Polar Surface Area130
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity1060
SMILES
CC(C)[C@@]12[C@@H](O1)[C@H]3[C@@]4(O3)[C@]5(CCC6=C([C@@H]5C[C@H]7[C@]4([C@@H]2OC(=O)CCC(=O)[O-])O7)COC6=O)C.[Na+]
InChI
InChI=1S/C24H28O9.Na/c1-10(2)22-17(32-22)18-24(33-18)21(3)7-6-11-12(9-29-19(11)28)13(21)8-14-23(24,31-14)20(22)30-16(27)5-4-15(25)26;/h10,13-14,17-18,20H,4-9H2,1-3H3,(H,25,26);/q;+1/p-1/t13-,14-,17-,18-,20+,21-,22-,23+,24+;/m0./s1
InChIKey
GLBMIEFQNYULDO-UFZHVSJGSA-M
Chemical Structure
2D Structure
2D structure of Omtriptolide Sodium
CAS: 195883-09-1
CID: 23663419
Formula: C24H27NaO9
MW: 482.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight482.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass482.15527672
Monoisotopic Mass482.15527672
Topological Polar Surface Area130 Ų
Heavy Atom Count34
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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