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Lushanrubescensin H

CAT: 0013-GTR19237195-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237195-01Size:50 mg
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Description
Lushanrubescensin H is a natural product from Isodon rubescens.
CAS Number
476640-22-9
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C22H30O6
Molecular Weight
390.5
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Lushanrubescensin H

Lushanrubescensin H has been reported in Isodon longitubus and Isodon rubescens with data available.

CAS Number476640-22-9
PubChem CID10340349
IUPAC Name[(1S,1'S,3'R,5S,6S,9R)-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
Molecular FormulaC22H30O6
Molecular Weight390.5
XLogP2.9
Topological Polar Surface Area89.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity754
SMILES
CC(=O)O[C@H]1CCC([C@H]([C@@]12COC(=O)[C@]34[C@H]2CC[C@H](C3)C(=C)C4=O)CO)(C)C
InChI
InChI=1S/C22H30O6/c1-12-14-5-6-15-21(9-14,18(12)25)19(26)27-11-22(15)16(10-23)20(3,4)8-7-17(22)28-13(2)24/h14-17,23H,1,5-11H2,2-4H3/t14-,15-,16-,17+,21+,22+/m1/s1
InChIKey
RAWOPLHURKGKQI-PTMKQUBYSA-N
Chemical Structure
2D Structure
2D structure of Lushanrubescensin H
CAS: 476640-22-9
CID: 10340349
Formula: C22H30O6
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass390.20423867
Monoisotopic Mass390.20423867
Topological Polar Surface Area89.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity754
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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