(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-butan-2-yl-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]chrysene
(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-butan-2-yl-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]chrysene
| Molecular Formula | C31H54 |
|---|---|
| Molecular Weight | 426.8 g/mol |
| LogP | 12.0 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 426.42255 |
| Heavy Atoms | 31 |
| Complexity | 705.0 |
Chemical Identifiers
| CAS Number | 53584-62-6 |
|---|---|
| SMILES | CCC(C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C |
| InChIKey | QFBGIDMRCNNMIW-HDBRRRMTSA-N |
📖 Product Overview
(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-butan-2-yl-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]chrysene (CAS: 53584-62-6) is a chemical compound with molecular formula C31H54 and molecular weight 426.8 g/mol. Its IUPAC systematic name is (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-butan-2-yl-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]chrysene.
QFBGIDMRCNNMIW-HDBRRRMTSA-N.
SMILES: CCC(C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(CCCC5(C)C)C)C)C)C.
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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for (3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-3-butan-2-yl-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]chrysene.
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