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Lokysterolamine B

CAT: 0013-GTR19193733Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193733Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lokysterolamine B is a steroidal alkaloid isolated from the marine sponge Corticium sp. This natural product is utilized in biochemical research, particularly for investigating its biological activities in cell-based (in vitro) assays related to marine natural product discovery and pharmacology.
CAS Number
159934-15-3
Smiles
C[C@H] (CC1=NCCC\1=C (\C) C) [C@H]1CC[C@H]2C3=CC[C@@H]4[C@@H] (O) [C@H] (CC[C@]4 (C) [C@H]3CC[C@]12C) NC (C) =O
Molecular Formula
C31H48N2O2
Molecular Weight
480.737
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lokysterolamine B

Lokysterolamine B has been reported in Corticium with data available.

CAS Number159934-15-3
PubChem CID21123588
IUPAC NameN-[(3S,4R,5R,9R,10R,13R,14R,17R)-4-hydroxy-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-3-yl]acetamide
Molecular FormulaC31H48N2O2
Molecular Weight480.7
XLogP5.5
Topological Polar Surface Area61.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity959
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)NC(=O)C)C)C
InChI
InChI=1S/C31H48N2O2/c1-18(2)21-13-16-32-28(21)17-19(3)23-9-10-24-22-7-8-26-29(35)27(33-20(4)34)12-15-31(26,6)25(22)11-14-30(23,24)5/h7,19,23-27,29,35H,8-17H2,1-6H3,(H,33,34)/t19-,23-,24+,25+,26+,27+,29-,30-,31-/m1/s1
InChIKey
QUNQBOZYERAKAG-QFGHJUQXSA-N
Chemical Structure
2D Structure
2D structure of Lokysterolamine B
CAS: 159934-15-3
CID: 21123588
Formula: C31H48N2O2
MW: 480.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.7
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass480.37157878
Monoisotopic Mass480.37157878
Topological Polar Surface Area61.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity959
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

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