18a(H)-22,29,30-Trisnorneohopane
Basic information
- Standard SMILES
CC1(C)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5CCC[C@@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12- InChIKey
XBNRGUOCXSKYLM-PIRYZJJHSA-N- Molecular formula
- C27H46
- Average molar mass
- 370.7 g/mol
- Monoisotopic mass
- 370.35995147
Names & identifiers
- Preferred name
- 18a(H)-22,29,30-Trisnorneohopane
- IUPAC
- (3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene
Names & synonyms
20,29,30-Trinorlupane, (17.alpha.)-DTXSID20135595518a(H)-22,29,30-Trisnorneohopane18I+/-(H)-22,29,30-trinorneohopane
Database identifiers
- PubChem CID
- 100925505
- DTXSID
DTXSID201355955- Nikkaji
- J1.029.175E
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 618
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…