Basic information
- CAS
55786-36-2- Standard SMILES
CC(C)[C@H]1OC(=O)C=C2[C@@]13O[C@@H]3[C@H]1OC(=O)[C@@]3(C)C=CC[C@@]2(C)[C@@H]13- InChIKey
NGMZHPQMBVXJMC-DXNUVPBBSA-N- Molecular formula
- C19H22O5
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.1467238
Overview
Podolide is an organic heterotricyclic compound and an organooxygen compound.
Names & identifiers
- Preferred name
- 2H,4H,9H-Furo(2',3',4':4,5)oxireno(2,3)naphtho(2,1-c)pyran-4,9-dione, 5b,6,8a,8b,10a,10b-hexahydro-5b,8a-dimethyl-2-(1-methylethyl)-, (1aR,2R,5bS,8aS,8bR,10aS,10bR)-
- IUPAC
- (1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadeca-8,12-diene-7,15-dione
Names & synonyms
Podolide55786-36-2(1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadeca-8,12-diene-7,15-dione(1S,2R,4R,5R,10S,14S,17R)-10,14-dimethyl-5-propan-2-yl-3,6,16-trioxapentacyclo(8.6.1.02,4.04,9.014,17)heptadeca-8,12-diene-7,15-dioneRefChem:9103972H,4H,9H-Furo(2',3',4':4,5)oxireno(2,3)naphtho(2,1-c)pyran-4,9-dione, 5b,6,8a,8b,10a,10b-hexahydro-5b,8a-dimethyl-2-(1-methylethyl)-, (1aR,2R,5bS,8aS,8bR,10aS,10bR)-CHEMBL465652Podolactone B, 1,2-deepoxy-2,3-didehydro-3,15,16-trideoxy-C09173CHEBI:8279NSC 238978Q27108037
Database identifiers
- CAS
55786-36-2- PubChem CID
- 99535
- ChEMBL
CHEMBL465652- ChEBI
CHEBI:8279- Nikkaji
- J171.205E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 736
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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