(2'r,4'r,6s,10r,13s)-2'-Acetyl-2',6,10,13-tetramethyl-7,8,10,12,13,14,15,16-octahydrospiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxane]-3,5'(6h)-dione
Basic information
- Standard SMILES
CC(=O)[C@]1(C)OCC(=O)[C@]2(CCC3C4C[C@H](C)C5=CC(=O)C=C[C@]5(C)C4=CC[C@@]32C)O1- InChIKey
ISETXXLGKDSAAA-GKAVHDBGSA-N- Molecular formula
- C26H32O5
- Average molar mass
- 424.5 g/mol
Names & identifiers
- Preferred name
- (2'r,4'r,6s,10r,13s)-2'-Acetyl-2',6,10,13-tetramethyl-7,8,10,12,13,14,15,16-octahydrospiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxane]-3,5'(6h)-dione
- IUPAC
- (2R,4R,6'S,10'R,13'S)-2-acetyl-2,6',10',13'-tetramethylspiro[1,3-dioxane-4,17'-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene]-3',5-dione
Names & synonyms
SCHEMBL2127402ISETXXLGKDSAAA-GKAVHDBGSA-N(2'r,4'r,6s,10r,13s)-2'-acetyl-2',6,10,13-tetramethyl-7,8,10,12,13,14,15,16-octahydrospiro[cyclopenta[a]phenanthrene-17,4'-[1,3]dioxane]-3,5'(6h)-dione
Database identifiers
- PubChem CID
- 67286271
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 988
Related reactions
3 records
Compound notes
Loading…