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9,10-Dihydrolysergol

CAT: 0572-TRC-D449150-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D449150-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
18051-16-6
Synonyms
(8β)-6-Methylergoline-8-methanol; Ergoline-8β-methanol, 6-methyl- (8CI); Lysergol, dihydro- (6CI); Lysergol, α-dihydro- (7CI); Indolo[4,3-fg]quinoline, ergoline-8-methanol deriv.; (5R,8R,10R)-6-Methyl-8-(hydroxymethyl)ergolane; (8β)-6-Methylergoline-8-methanol; 6-Methylergoline-8β-methanol; 8,9-Dihydroelymoclavine; 8α,9-Dihydroelymoclavine; 9,10-Dihydrolysergol; D-8β-(Hydroxymethyl)-6-methylergoline; Dihydroelymoclavine; Dihydrolysergol; Dihydrolysergol I; LY 60722; α-Dihydrolysergol
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
CN1C[C@H](CO)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34
Molecular Formula
C16 H20 N2 O
Molecular Weight
256.34
InChI
InChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-4,7,10,13,15,17,19H,5-6,8-9H2,1H3/t10-,13-,15-/m1/s1
Additionnal Information
IUPAC name: [(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-yl]methanol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Dihydroelymoclavine

dihydroelymoclavine has been reported in Balansia henningsiana and Stictocardia tiliifolia with data available.

CAS Number18051-16-6
PubChem CID5274124
IUPAC Name[(6aR,9R,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methanol
Molecular FormulaC16H20N2O
Molecular Weight256.34
XLogP1.9
Topological Polar Surface Area39.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity348
SMILES
CN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CO
InChI
InChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-4,7,10,13,15,17,19H,5-6,8-9H2,1H3/t10-,13-,15-/m1/s1
InChIKey
UFKTZIXVYHGAES-WDBKCZKBSA-N
Chemical Structure
2D Structure
2D structure of Dihydroelymoclavine
CAS: 18051-16-6
CID: 5274124
Formula: C16H20N2O
MW: 256.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight256.34
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass256.157563266
Monoisotopic Mass256.157563266
Topological Polar Surface Area39.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes