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Methyl lucidenate N

CAT: 0013-GTR19179129Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179129Size:5 mg
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Description
Methyl lucidenate N (CAS 1276655-49-2) is a natural triterpenoid used in life science research. It is applied in biochemical studies for its potential bioactivity, serving as a reference compound in both in vitro and in vivo experimental models.
CAS Number
1276655-49-2
Smiles
C[C@]12C3=C ([C@]4 (C) [C@@] (C[C@@H]3O) (C (C) (C) [C@@H] (O) CC4) [H]) C (=O) C[C@]1 (C) [C@@] ([C@@H] (CCC (OC) =O) C) (CC2=O) [H]
Molecular Formula
C28H42O6
Molecular Weight
474.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl Lucidenate N

Me lucidenate N is a triterpenoid.

CAS Number1276655-49-2
PubChem CID71718315
IUPAC Namemethyl (4R)-4-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular FormulaC28H42O6
Molecular Weight474.6
XLogP2.7
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity949
SMILES
C[C@H](CCC(=O)OC)[C@H]1CC(=O)[C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C
InChI
InChI=1S/C28H42O6/c1-15(8-9-22(33)34-7)16-12-21(32)28(6)24-17(29)13-19-25(2,3)20(31)10-11-26(19,4)23(24)18(30)14-27(16,28)5/h15-17,19-20,29,31H,8-14H2,1-7H3/t15-,16-,17+,19+,20+,26+,27-,28+/m1/s1
InChIKey
IURJGJVSAQSDJJ-MDNRWGJGSA-N
Chemical Structure
2D Structure
2D structure of Methyl Lucidenate N
CAS: 1276655-49-2
CID: 71718315
Formula: C28H42O6
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass474.29813906
Monoisotopic Mass474.29813906
Topological Polar Surface Area101 Ų
Heavy Atom Count34
Formal Charge0
Complexity949
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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