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Lokysterolamine A

CAT: 0013-GTR19193734Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193734Size:25 mg
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Description
Lokysterolamine A is a steroidal alkaloid isolated from the marine sponge Corticium sp. This natural product is utilized in biochemical research for investigating its biological activity in both in vitro and in vivo models, particularly within marine natural product and pharmacology studies.
CAS Number
159934-14-2
Smiles
C[C@@]12[C@@]3 (C ([C@]4 ([C@] (C) (CC3) [C@@] ([C@@H] (CC=5C (=C (C) C) CCN5) C) (CC4) [H]) [H]) =CC[C@]1 ([C@@H] (O) [C@@H] (N (C) C) CC2) [H]) [H]
Molecular Formula
C31H50N2O
Molecular Weight
466.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lokysterolamine A

Lokysterolamine A has been reported in Corticium with data available.

CAS Number159934-14-2
PubChem CID157832
IUPAC Name(3S,4R,5R,9R,10R,13R,14R,17R)-3-(dimethylamino)-10,13-dimethyl-17-[(2R)-1-(4-propan-2-ylidene-2,3-dihydropyrrol-5-yl)propan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-4-ol
Molecular FormulaC31H50N2O
Molecular Weight466.7
XLogP6.2
Topological Polar Surface Area35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity895
SMILES
C[C@H](CC1=NCCC1=C(C)C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4C3=CC[C@@H]5[C@@]4(CC[C@@H]([C@@H]5O)N(C)C)C)C
InChI
InChI=1S/C31H50N2O/c1-19(2)21-14-17-32-27(21)18-20(3)23-10-11-24-22-8-9-26-29(34)28(33(6)7)13-16-31(26,5)25(22)12-15-30(23,24)4/h8,20,23-26,28-29,34H,9-18H2,1-7H3/t20-,23-,24+,25+,26+,28+,29-,30-,31-/m1/s1
InChIKey
VIMZHTFJEDRKBC-GQYVRWDISA-N
Chemical Structure
2D Structure
2D structure of Lokysterolamine A
CAS: 159934-14-2
CID: 157832
Formula: C31H50N2O
MW: 466.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.7
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass466.392314223
Monoisotopic Mass466.392314223
Topological Polar Surface Area35.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity895
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T32847Lokysterolamine A
T32848Lokysterolamine B

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