Thp ether OF betulaldehyde
Basic information
- CAS
59741-99-0- Standard SMILES
C=C(C)C1CCC2(C=O)CCC3(C)C(CCC4C5(C)CCC(OC6CCCCO6)C(C)(C)C5CCC43C)C12- InChIKey
CEYFBSPDVSKYLU-UHFFFAOYSA-N- Molecular formula
- C35H56O3
- Average molar mass
- 524.8 g/mol
- Monoisotopic mass
- 524.42294564
Names & identifiers
- Preferred name
- Thp ether OF betulaldehyde
- IUPAC
- 5a,5b,8,8,11a-pentamethyl-9-(oxan-2-yloxy)-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbaldehyde
Names & synonyms
59741-99-0THP ETHER OF BETULALDEHYDENSC195201DTXSID40307848NSC-1952013-[(Oxan-2-yl)oxy]lup-20(29)-en-28-al
Database identifiers
- CAS
59741-99-0- PubChem CID
- 304253
- DTXSID
DTXSID40307848
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 955
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Related reactions
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Compound notes
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