CID 101276845
Basic information
- CAS
19669-94-4- Standard SMILES
CCOC1=C(C=O)C[C@@]2(C)C(=C1)C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21OCOC12COCO2- InChIKey
YSYMYVUTMSPNQK-KOZDBXFYSA-N- Molecular formula
- C26H34O6
- Average molar mass
- 442.5 g/mol
Names & identifiers
- Preferred name
- CID 101276845
- English name
- 3-Ethoxy-17,20:20,21-bis(methylenebisoxy)pregna-2,4,6-triene-2-carbaldehyde
- Molecular formula
- C26H34O6
- Molecular weight
- 442.54
Names & synonyms
PubChem ID: 1012768453-Ethoxy-17,20:20,21-bis(methylenebisoxy)pregna-2,4,6-triene-2-carbaldehydePregna-2,4,6-triene-2-carboxaldehyde, 3-ethoxy-17,20:20,21-bis(methylenedioxy)- (8CI)
Database identifiers
- CAS
19669-94-4- Nikkaji
- J119.008C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 921
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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