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Basic information
- CAS
156383-09-4- Standard SMILES
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@H]3CC21Cc1cc(N(C)C)ccc13- InChIKey
QXJZBUFGFSWMLW-AOGGWWGWSA-N- Molecular formula
- C29H35NO2
- Average molar mass
- 429.604 g/mol
- Monoisotopic mass
- 429.26677936
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-6-hydroxy-6-(prop-1-yn-1-yl)-5,7,8,8a,8b,9,10,13,14,14a,14b,15-dodecahydro-5a,15-methanobenzo[6,7]cyclopenta[3,4]cycloocta[1,2-a]naphthalen-12(6H)-one
- IUPAC
- (6S,8aS,8bR,14aR,14bS,15R)-3-(Dimethylamino)-6-hydroxy-6-(prop-1-yn-1-yl)-5,7,8,8a,8b,9,10,13,14,14a,14b,15-dodecahydro-5a,15-methanobenzo[6,7]cyclopenta[3,4]cycloocta[1,2-a]naphthalen-12(6H)-one
- English name
- 4'-(dimethylamino)-17-hydroxy-17-(1-propynyl)benzo(12,12a)-11,18-cyclo-12a,12b-dihomo-estr-4-en-3-one
- Molecular formula
- C29H35NO2
- Molecular weight
- 429.59
Names & synonyms
4'-(dimethylamino)-17-hydroxy-17-(1-propynyl)benzo(12,12a)-11,18-cyclo-12a,12b-dihomo-estr-4-en-3-one5a,15-Methano-5aH-benzo[6,7]cyclopenta[3,4]cycloocta[1,2-a]naphthalen-12(6H)-one, 3-(dimethylamino)-5,7,8,8a,8b,9,10,13,14,14a,14b,15-dodecahydro-6-hydroxy-6-(1-propynyl)-, [5aR-(5aα,6β,8aα,8bβ,14aβ,14bα,15α)]- (9CI)
Database identifiers
- CAS
156383-09-4- PubChem CID
- 190836
- DTXSID
DTXSID90935433
Properties
Physicochemical properties
- Boiling point
- 643.103 · 643.103±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.224 · 1.224±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.027 · 13.027±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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