Basic information
- CAS
55199-72-9- Standard SMILES
CC1(C)CCCC2(C)C1CCC1(C)C2CCC2C3CCCC3(C)CCC21C- InChIKey
XBNRGUOCXSKYLM-UHFFFAOYSA-N- Molecular formula
- C27H46
- Average molar mass
- 370.7 g/mol
- Monoisotopic mass
- 370.35995147
Names & identifiers
- Preferred name
- 20,29,30-Trinorlupane, (17alpha)-
- IUPAC
- 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
- English name
- 18alpha(H)-22,29,30-trisnorneohopane
- Molecular formula
- C27H46
- Molecular weight
- 370.65
Names & synonyms
55199-72-920,29,30-Trinorlupane, (17alpha)-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]chrysene18ALPHA(H)-22,29,30-TRISNORNEOHOPANEDTXSID309705253a,5a,5b,8,8,11a-Hexamethylicosahydro-1H-cyclopenta[a]chrysene20,29,30-Trinorlupane,(17a)-20,29,30-Trinorlupane, (17α)-18α(H)-22,29,30-Trisnorneohopane18α(H)-22,29,30-Trisnorneohopane, ex. Gaj Oil
Database identifiers
- CAS
55199-72-9- PubChem CID
- 41359
- DTXSID
DTXSID30970525
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
Physicochemical properties
- Boiling point
- 424.4 · 424.4±12.0 °C(Predicted)
- Density
- 0.94 · 0.940±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 20 · 20,29,30-Trinorlupane, (17.alpha.)- (55199-72-9)
Chemistry & industry
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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