Basic information
- CAS
4627-50-3- Standard SMILES
CCC1(C)CCC2C(CCC3C(C)(C(=O)OC)CCCC23C)C12SCCS2- InChIKey
OYCPIYLGNKGHOM-UHFFFAOYSA-N- Molecular formula
- C23H38O2S2
- Average molar mass
- 410.7 g/mol
- Monoisotopic mass
- 410.2313228
Names & identifiers
- Preferred name
- Methyl 2'-ethyl-2',4b',8'-trimethyldodecahydro-2'h-spiro[1,3-dithiolane-2,1'-phenanthrene]-8'-carboxylate
- IUPAC
- methyl 7'-ethyl-1',4'a,7'-trimethylspiro[1,3-dithiolane-2,8'-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene]-1'-carboxylate
Names & synonyms
4627-50-3methyl 2'-ethyl-2',4b',8'-trimethyldodecahydro-2'h-spiro[1,3-dithiolane-2,1'-phenanthrene]-8'-carboxylateNSC149565DTXSID30302185NSC-149565Methyl 2'-ethyl-2',4'b,8'-trimethyldodecahydro-2'H-spiro[[1,3]dithiolane-2,1'-phenanthrene]-8'-carboxylate
Database identifiers
- CAS
4627-50-3- PubChem CID
- 288384
- DTXSID
DTXSID30302185
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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