Spirosta-5,7-dien-3-yl acetate
Basic information
- CAS
64110-65-2- Standard SMILES
CC(=O)OC1CCC2(C)C(=CC=C3C2CCC2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1- InChIKey
RCKXXRKVQLJHEM-UHFFFAOYSA-N- Molecular formula
- C29H42O4
- Average molar mass
- 454.6 g/mol
- Monoisotopic mass
- 454.30830982
Names & identifiers
- Preferred name
- Spirosta-5,7-dien-3-yl acetate
- IUPAC
- (5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(20),18-diene-6,2'-oxane]-16-yl) acetate
Names & synonyms
64110-65-27-Dehydrodiosgenin acetateSpirosta-5,7-dien-3-yl acetateO-Acetyl-7-dehydrodiosgenin7-Dehydrodiosgenin 3-acetateDTXSID00310792RCKXXRKVQLJHEM-UHFFFAOYSA-NNSC231797Spirosta-5,7-dien-3-yl acetate #NSC-231797
Database identifiers
- CAS
64110-65-2- PubChem CID
- 314384
- DTXSID
DTXSID00310792
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 905
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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