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Lysergol

CAT: 1596-AR-L08042-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L08042-02Size:25 Units
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CAS Number
602-85-7
Synonyms
((6aR,9R) -7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl) methanol
Molecular Formula
C16H18N2O
Molecular Weight
254.33
API Name
Lysergol

Chemical Information

Lysergol

Lysergol is an alkaloid of the ergoline family that occurs as a minor constituent in some species of fungi and in the morning glory family of plants. Its structure is that of ergoline with a methyl group at N-6 and a beta-hydroxymethyl substituent at C-8.

CAS Number602-85-7
PubChem CID14987
IUPAC Name[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
Molecular FormulaC16H18N2O
Molecular Weight254.33
XLogP2.2
Topological Polar Surface Area39.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity394
SMILES
CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CO
InChI
InChI=1S/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3/t10-,15-/m1/s1
InChIKey
BIXJFIJYBLJTMK-MEBBXXQBSA-N
Chemical Structure
2D Structure
2D structure of Lysergol
CAS: 602-85-7
CID: 14987
Formula: C16H18N2O
MW: 254.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.33
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass254.141913202
Monoisotopic Mass254.141913202
Topological Polar Surface Area39.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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