Basic information
- CAS
71503-81-6- Standard SMILES
C=C1C(=O)C2=CC1CCC(=O)C1(C)C(OC(C)=O)CC(OC(C)=O)C(C)(C)C1CC2O- InChIKey
XZIWCGKVUXCSPI-UHFFFAOYSA-N- Molecular formula
- C24H32O7
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.21480336
Names & identifiers
- Preferred name
- Shikodomedin
- IUPAC
- (8-acetyloxy-2-hydroxy-5,5,9-trimethyl-14-methylidene-10,15-dioxo-6-tricyclo[11.2.1.04,9]hexadec-1(16)-enyl) acetate
Names & synonyms
NSC36437971503-81-6SHIKODOMEDINDTXSID70331090NSC-3643796-Hydroxy-4,4,13a-trimethyl-9-methylidene-8,13-dioxotetradecahydro-10,7-(metheno)benzo[11]annulene-1,3-diyl diacetate
Database identifiers
- CAS
71503-81-6- PubChem CID
- 435145
- DTXSID
DTXSID70331090
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 867
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…