3beta-(Prop-2-ynyloxy)cholestanol

HCID 86658282
Substructure searchFind similar structures

Basic information

Standard SMILES
C#CCO[C@H]1CC[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)CO)[C@@]4(C)CC[C@@H]32)C1
InChIKey
DECKXFGSBQZMRK-WLSKFYEASA-N
Molecular formula
C30H50O2
Average molar mass
442.7 g/mol

Names & identifiers

Preferred name
3beta-(Prop-2-ynyloxy)cholestanol
IUPAC
(6R)-6-[(3S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-prop-2-ynoxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptan-1-ol

Names & synonyms

DECKXFGSBQZMRK-WLSKFYEASA-N3beta-(prop-2-ynyloxy)cholestanol

Database identifiers

PubChem CID
86658282

Properties

Computed structural properties

XLogP
8.6
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
32

Related reactions

3 records
New reaction record

Linked notes

Loading…