Basic information
- CAS
60175-48-6- Standard SMILES
CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3CC312- InChIKey
DSVYQBSADVVKNY-MXTZVANXSA-N- Molecular formula
- C28H48O
- Average molar mass
- 400.7 g/mol
- Monoisotopic mass
- 400.37051615
Names & identifiers
- Preferred name
- (1S,2R,5R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
- IUPAC
- (1S,2R,5R,8R,10S,11S,14R,15R)-8-methoxy-2,15-dimethyl-14-[(2R)-6-methylheptan-2-yl]pentacyclo[8.7.0.02,7.05,7.011,15]heptadecane
Names & synonyms
NSC73106NSC-73106
Database identifiers
- CAS
60175-48-6- PubChem CID
- 252014
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 626
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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