6,14-Ethenomorphinan-7-methanol, alpha,17-dimethyl-4,5-epoxy-6-methoxy-alpha-pentyl-, (5-alpha,7-alpha(R))-

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Basic information

CAS: 26236-50-0
Standard SMILES: CCCCC[C@@](C)(O)[C@H]1CC23C=C[C@@]1(OC)[C@@H]1Oc4cccc5c4[C@@]12CCN(C)[C@@H]3C5
InChIKey: QUQSQOGREJSRNA-CYPNZPRNSA-N
Molecular formula: C27H37NO3
Average molar mass: 423.6 g/mol
Monoisotopic mass: 423.27734404

Names & identifiers

Preferred name: 6,14-Ethenomorphinan-7-methanol, alpha,17-dimethyl-4,5-epoxy-6-methoxy-alpha-pentyl-, (5-alpha,7-alpha(R))-
IUPAC: (2R)-2-[(2S,6R,14R,15S,16R)-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]heptan-2-ol

Names & synonyms

BRN 491725426236-50-06,14-Ethenomorphinan-7-methanol, alpha,17-dimethyl-4,5-epoxy-6-methoxy-alpha-pentyl-, (5-alpha,7-alpha(R))-RefChem:305982DTXSID80949100(2R)-2-[(4R,7S,7aR,12bS,14R)-7-Methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-14-yl]heptan-2-ol2-(7-Methoxy-3-methyl-1,2,3,4,7,7a-hexahydro-4a,7-ethano-4,12-methano[1]benzofuro[3,2-e]isoquinolin-14-yl)heptan-2-ol

Database identifiers

CAS: 26236-50-0
PubChem CID: 213360
DTXSID: DTXSID80949100

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 41.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 31
Formal charge: 0
Complexity: 770

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Compound notes

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