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(-) -Himgaline

CAT: 0931-TN8461-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN8461-01Size:10 mg
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CAS Number
16585-08-3
Target
Others
Related Pathways
Others
Bioactivity
(–) -Himgaline is an alkaloid that can be isolated from Galbulimima belgraveana and Galbulimima baccata.
Smiles
O[C@]12[C@]34[C@@]([C@](C1)(C[C@]5(N3[C@@H](C)CC[C@@]25[H])[H])[H])([C@]6([C@]([C@H](O)C4)(CCCC6)[H])[H])[H]
Molecular Formula
C20H31NO2
Molecular Weight
317.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Himgaline

himbeline has been reported in Galbulimima belgraveana and Galbulimima baccata with data available.

CAS Number16585-08-3
PubChem CID101297601
IUPAC Name(1S,2R,4S,5S,10R,11R,12R,14S,16R,19S)-16-methyl-15-azahexacyclo[10.7.1.02,11.02,15.05,10.014,19]icosane-1,4-diol
Molecular FormulaC20H31NO2
Molecular Weight317.5
XLogP2.9
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity552
SMILES
C[C@@H]1CC[C@H]2[C@H]3N1[C@@]45[C@@]2(C[C@@H](C3)[C@@H]4[C@H]6CCCC[C@@H]6[C@H](C5)O)O
InChI
InChI=1S/C20H31NO2/c1-11-6-7-15-16-8-12-9-20(15,23)19(21(11)16)10-17(22)13-4-2-3-5-14(13)18(12)19/h11-18,22-23H,2-10H2,1H3/t11-,12-,13+,14+,15+,16+,17+,18-,19-,20+/m1/s1
InChIKey
AGKXKKZYQAPZDW-TZKYPUSKSA-N
Chemical Structure
2D Structure
2D structure of Himgaline
CAS: 16585-08-3
CID: 101297601
Formula: C20H31NO2
MW: 317.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass317.235479232
Monoisotopic Mass317.235479232
Topological Polar Surface Area43.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity552
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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