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Methyl lucidenate L

CAT: 0013-GTR19179131Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19179131Size:5 mg
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Description
Methyl lucidenate L (CAS 110267-46-4) is a natural triterpenoid used in life science research. It is investigated in vitro and in vivo for its potential bioactivities, including studies related to cellular mechanisms and metabolic pathways.
CAS Number
110267-46-4
Field of Research
Infectious Disease & Virology
Smiles
C[C@]12C3=C ([C@]4 (C) [C@@] (CC3=O) (C (C) (C) [C@@H] (O) CC4) [H]) C (=O) [C@@H] (O) [C@]1 (C) [C@@] ([C@@H] (CCC (OC) =O) C) (CC2=O) [H]
Molecular Formula
C28H40O7
Molecular Weight
488.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl Lucidenate L

methyl lucidenate L has been reported in Ganoderma lucidum with data available.

CAS Number110267-46-4
PubChem CID44566900
IUPAC Namemethyl (4R)-4-[(3S,5R,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]pentanoate
Molecular FormulaC28H40O7
Molecular Weight488.6
XLogP2.5
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity1020
SMILES
C[C@H](CCC(=O)OC)[C@H]1CC(=O)[C@@]2([C@@]1([C@@H](C(=O)C3=C2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C)C
InChI
InChI=1S/C28H40O7/c1-14(8-9-20(32)35-7)15-12-19(31)28(6)21-16(29)13-17-25(2,3)18(30)10-11-26(17,4)22(21)23(33)24(34)27(15,28)5/h14-15,17-18,24,30,34H,8-13H2,1-7H3/t14-,15-,17+,18+,24-,26+,27+,28+/m1/s1
InChIKey
NGQBPTCJUKNWJC-JKTDPEJKSA-N
Chemical Structure
2D Structure
2D structure of Methyl Lucidenate L
CAS: 110267-46-4
CID: 44566900
Formula: C28H40O7
MW: 488.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.6
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass488.27740361
Monoisotopic Mass488.27740361
Topological Polar Surface Area118 Ų
Heavy Atom Count35
Formal Charge0
Complexity1020
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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