Basic information
- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C.NCCN- InChIKey
PVQMKWMPVPGWMR-KPNWGBFJSA-N- Molecular formula
- C29H54N2O
- Average molar mass
- 446.8 g/mol
Names & identifiers
- Preferred name
- Cholesterol Ethylenediamine
- IUPAC
- (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol;ethane-1,2-diamine
Names & synonyms
Cholesterol EthylenediamineSCHEMBL6358625PVQMKWMPVPGWMR-KPNWGBFJSA-N
Database identifiers
- PubChem CID
- 69752158
Properties
Computed structural properties
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 597
Related reactions
4 records
Compound notes
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