Basic information
- Standard SMILES
CC(C)(O)C1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@H]12- InChIKey
PNJBOAVCVAVRGR-KSSFRSRDSA-N- Molecular formula
- C30H52O
- Average molar mass
- 428.7 g/mol
- Monoisotopic mass
- 428.40181628
Names & identifiers
- Preferred name
- Hydroxyhopane
- IUPAC
- 2-[(3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-2-ol
Names & synonyms
HydroxyhopaneNSC705538NSC-705538NCI60_037649
Database identifiers
- PubChem CID
- 397488
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 737
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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