Basic information
- CAS
2791-51-7- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CCC4=CC5(CCC4(C)C3CCC12C)SCCS5- InChIKey
ZVQGNXVEMQLIQF-UHFFFAOYSA-N- Molecular formula
- C29H48S2
- Average molar mass
- 460.8 g/mol
- Monoisotopic mass
- 460.31974388
Names & identifiers
- Preferred name
- 10,13-Dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dithiolane]
- IUPAC
- 10,13-dimethyl-17-(6-methylheptan-2-yl)spiro[1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,2'-1,3-dithiolane]
Names & synonyms
2791-51-710,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dithiolane]NSC1189823,3-Ethylenedithio-4-cholesteneDTXSID00297892ZVQGNXVEMQLIQF-UHFFFAOYSA-NNSC-1189829a,11a-Dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-7,2'-[1,3]dithiolane]
Database identifiers
- CAS
2791-51-7- PubChem CID
- 273611
- DTXSID
DTXSID00297892
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 689
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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