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Rabdosin C

CAT: 0013-GTR19198681-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198681-04Size:25 mg
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Description
Rabdosin C is a bioactive small molecule isolated from Rabdosia japonica leaves. It exhibits antineoplastic properties and is utilized in cancer research, demonstrating cytotoxic effects in various in vitro cell line studies.
CAS Number
82460-75-1
Purity
99.88% (May vary between batches)
Smiles
O=C (OCC12C (OC (=O) C34C (=O) C (=C) C (CC (O) C31) C4) CCC (C) (C) C2CO) C
Molecular Formula
C22H30O7
Molecular Weight
406.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isodonoiol

Rabdosin C has been reported in Isodon japonicus and Isodon rubescens with data available.

CAS Number82460-75-1
PubChem CID158213
IUPAC Name[11-hydroxy-8-(hydroxymethyl)-7,7-dimethyl-14-methylidene-2,15-dioxo-3-oxatetracyclo[11.2.1.01,10.04,9]hexadecan-9-yl]methyl acetate
Molecular FormulaC22H30O7
Molecular Weight406.5
XLogP1.6
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity786
SMILES
CC(=O)OCC12C(CCC(C1CO)(C)C)OC(=O)C34C2C(CC(C3)C(=C)C4=O)O
InChI
InChI=1S/C22H30O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)29-16-5-6-20(3,4)15(9-23)22(16,17)10-28-12(2)24/h13-17,23,25H,1,5-10H2,2-4H3
InChIKey
OCELUFZNLBUKGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isodonoiol
CAS: 82460-75-1
CID: 158213
Formula: C22H30O7
MW: 406.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.5
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass406.19915329
Monoisotopic Mass406.19915329
Topological Polar Surface Area110 Ų
Heavy Atom Count29
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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