(1aR,1bS,5aS,9bS)-7-methoxy-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene
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Basic information
- CAS
118326-94-6- Standard SMILES
COc1ccc2c(c1)[C@H]1CCCC[C@@H]1[C@H]1O[C@@H]21- InChIKey
SEEWCDWTXYKWKT-AZHAFVHUSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Names & identifiers
- Preferred name
- (1aR,1bS,5aS,9bS)-7-methoxy-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene
- IUPAC
- (1aR,1bS,5aS,9bS)-7-methoxy-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene
- English name
- (4abeta,9beta,10beta)-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-o ctahydrophenanthrene
- Molecular formula
- C15H18O2
- Molecular weight
- 230.3
Names & synonyms
118326-94-6N5MN0P4YD5(1aR,1bS,5aS,9bS)-7-methoxy-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirene(4abeta,9beta,10beta)-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenanthrene1a,1b,2,3,4,5,5a,9b-Octahydro-7-methoxyphenanthro(9,10-b)oxirene, (1aR,1bS,5aS,9bS)-(+/-)-CCRIS 7431UNII-N5MN0P4YD5(4abeta,9beta,10beta )-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenenthrene(4abeta,9beta,10beta)-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-octahydrophenenthreneSCHEMBL29462294DTXSID10922663(4abeta,9beta,10beta)-6-Methoxy-9,10-epoxy-trans-1,2,3,4,4a,9,10,10a-o ctahydrophenanthrene
Show more names
Phenanthro[9,10-b]oxirene, 1a,1b,2,3,4,5,5a,9b-octahydro-7-methoxy-, (1aR,1bS,5aS,9bS)-rel-
7-methoxy-1a,1b,2,3,4,5,5a,9b-octahydrophenanthro[9,10-b]oxirenePHENANTHRO(9,10-B)OXIRENE, 1A,1B,2,3,4,5,5A,9B-OCTAHYDRO-7-METHOXY-, (1A.ALPHA.,1B.BETA.,5A.ALPHA.,9B.ALPHA.)-PHENANTHRO(9,10-B)OXIRENE, 1A,1B,2,3,4,5,5A,9B-OCTAHYDRO-7-METHOXY-, (1AR,1BS,5AS,9BS)-REL-REL-(1AR,1BS,5AS,9BS)-1A,1B,2,3,4,5,5A,9B-OCTAHYDRO-7-METHOXYPHENANTHRO(9,10-B)OXIRENE
Database identifiers
- CAS
118326-94-6- PubChem CID
- 147242
- DTXSID
DTXSID10922663- UNII
- N5MN0P4YD5
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 21.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Melting point
- 75 · 75-76 °C
- Boiling point
- 362.7 · 362.7±37.0 °C(Predicted)
- Density
- 1.139 · 1.139±0.06 g/cm3(Predicted)
- FDA UNII
- 5 MN0P4YD5 · N5MN0P4YD5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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