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(7R)-Salutaridinol

CAT: 0572-TRC-S100655-0.25MGSize: 0.25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S100655-0.25MGSize:0.25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55781-27-6
Synonyms
(±)-(7β)-Salutaridinol
Hazard Statement
No Data Available
Smiles
OC1=C(OC)C=CC2=C1[C@]3(CCN4C)C([C@H]4C2)=C[C@@H](O)C(OC)=C3
Molecular Formula
C19H23NO4
Molecular Weight
329.39
InChI
InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13-14,21-22H,6-8H2,1-3H3/t13-,14-,19+/m1/s1
Additionnal Information
IUPAC name: (4bS,7R,9R)-3,6-dimethoxy-11-methyl-9,10-dihydro-7H-9,4b-(epiminoethano)phenanthrene-4,7-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(7R)-salutaridinol

(7R)-salutaridinol is a salutaridinol.

CAS Number55781-27-6
PubChem CID12315216
IUPAC Name(1S,9R,12R)-4,13-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaene-3,12-diol
Molecular FormulaC19H23NO4
Molecular Weight329.4
XLogP1.4
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity574
SMILES
CN1CC[C@]23C=C([C@@H](C=C2[C@H]1CC4=C3C(=C(C=C4)OC)O)O)OC
InChI
InChI=1S/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13-14,21-22H,6-8H2,1-3H3/t13-,14-,19+/m1/s1
InChIKey
LLSADFZHWMEBHH-LPMFXHHGSA-N
Chemical Structure
2D Structure
2D structure of (7R)-salutaridinol
CAS: 55781-27-6
CID: 12315216
Formula: C19H23NO4
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass329.16270821
Monoisotopic Mass329.16270821
Topological Polar Surface Area62.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity574
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

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