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D,L-Stepholidine

CAT: 0572-TRC-S686600-0.5MGSize: 0.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S686600-0.5MGSize:0.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
16562-14-4
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(O)c4OC
Molecular Formula
C19 H21 N O4
Molecular Weight
327.37
InChI
InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3
Additionnal Information
IUPAC name: 3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinoline-2,10-diol

3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol is an alkaloid.

CAS Number16562-14-4
PubChem CID5290
IUPAC Name3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Molecular FormulaC19H21NO4
Molecular Weight327.4
XLogP2.6
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity447
SMILES
COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O
InChI
InChI=1S/C19H21NO4/c1-23-18-8-12-5-6-20-10-14-11(3-4-16(21)19(14)24-2)7-15(20)13(12)9-17(18)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3
InChIKey
JKPISQIIWUONPB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino(2,1-b)isoquinoline-2,10-diol
CAS: 16562-14-4
CID: 5290
Formula: C19H21NO4
MW: 327.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass327.14705815
Monoisotopic Mass327.14705815
Topological Polar Surface Area62.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity447
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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