Thp ether OF betulin
Basic information
- CAS
59741-98-9- Standard SMILES
C=C(C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(OC6CCCCO6)C(C)(C)C5CCC43C)C12- InChIKey
UTPSWHVOJOBILR-UHFFFAOYSA-N- Molecular formula
- C35H58O3
- Average molar mass
- 526.8 g/mol
- Monoisotopic mass
- 526.43859571
Names & identifiers
- Preferred name
- Thp ether OF betulin
- 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]chrysen-3a-yl]methanol
Names & synonyms
NSC195200THP ETHER OF BETULIN59741-98-9Betulin THP etherDTXSID80307847NSC-1952003-[(Oxan-2-yl)oxy]lup-20(29)-en-28-olLup-20(29)-en-28-ol, 3-[(tetrahydro-2H-pyran-2-yl)oxy]-(1-isopropenyl-5a,5b,8,8,11a-pentamethyl-9-tetrahydropyran-2-yloxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-3a-yl)methanol
Database identifiers
- CAS
59741-98-9- PubChem CID
- 304252
- DTXSID
DTXSID80307847
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 926
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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