Basic information
- CAS
91414-05-0- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CCC23SCCCS3)C1- InChIKey
ZWVBQMUJVVVDLM-UHFFFAOYSA-N- Molecular formula
- C24H36O2S2
- Average molar mass
- 420.7 g/mol
- Monoisotopic mass
- 420.21567273
Names & identifiers
- Preferred name
- 10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dithian]-3-yl acetate
- IUPAC
- (10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-1,3-dithiane]-3-yl) acetate
Names & synonyms
91414-05-010,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dithian]-3-yl acetateNSC119002DTXSID60297898NSC-1190029a,11a-Dimethyl-2,3,3a,3b,4,6,7,8,9,9a,9b,10,11,11a-tetradecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,3]dithian]-7-yl acetate
Database identifiers
- CAS
91414-05-0- PubChem CID
- 273629
- DTXSID
DTXSID60297898
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 682
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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