Basic information
- CAS
65636-26-2- Standard SMILES
CCC1CCC2C1CCC1(C)C2CCC2C3(C)CCCC(C)(C)C3CCC21C- InChIKey
RLPRHPNFVLCDPC-UHFFFAOYSA-N- Molecular formula
- C28H48
- Average molar mass
- 384.7 g/mol
- Monoisotopic mass
- 384.37560153
Names & identifiers
- Preferred name
- A'-Neo-28,30-dinorgammacerane, (17alpha)-
- IUPAC
- 3-ethyl-5a,5b,8,8,11a-pentamethyl-2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene
Names & synonyms
A'-Neo-28,30-dinorgammacerane, (17alpha)-65636-26-2RefChem:31380417beta(H), 21A(H)-28,30-BISNORHOPANEDTXSID20984196RLPRHPNFVLCDPC-UHFFFAOYSA-N(17alpha)-A'-Neo-28,30-dinorgammacerane17.alpha.,21.beta.-28,30-BisnorhopaneA'-Neo-28,30-dinorgammacerane, (17.alpha.)-3-ethyl-5a,5b,8,8,11a-pentamethylicosahydro-1H-cyclopenta[a]chrysene
Database identifiers
- CAS
65636-26-2- PubChem CID
- 47689
- DTXSID
DTXSID20984196
Properties
Computed structural properties
- XLogP
- 10.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 618
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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