7,12a,14a-Trimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,5a,6,7,12,12a,12b,13,14,14a-hexadecahydrocyclopenta[5,6]naphtho[2,1-b]carbazole
Basic information
- CAS
2439-69-2- Standard SMILES
CC(C)CCCC(C)C1CCC2C3CCC4Cc5c(c6ccccc6n5C)CC4(C)C3CCC12C- InChIKey
SFOFIYGIGSPKJY-UHFFFAOYSA-N- Molecular formula
- C34H51N
- Average molar mass
- 473.8 g/mol
- Monoisotopic mass
- 473.40215063
Names & identifiers
- Preferred name
- 7,12a,14a-Trimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,5a,6,7,12,12a,12b,13,14,14a-hexadecahydrocyclopenta[5,6]naphtho[2,1-b]carbazole
- IUPAC
- 1,5,16-trimethyl-6-(6-methylheptan-2-yl)-16-azahexacyclo[11.11.0.02,10.05,9.015,23.017,22]tetracosa-15(23),17,19,21-tetraene
- English name
- 1'-Methyl-1'H-5α-cholest-2-eno[3,2-b]indole
- Molecular formula
- C34H51N
- Molecular weight
- 473.78
Names & synonyms
2439-69-27,12a,14a-trimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,5a,6,7,12,12a,12b,13,14,14a-hexadecahydrocyclopenta[5,6]naphtho[2,1-b]carbazole1'H-5.alpha.-Cholest-2-eno[3,2-b]indole, 1'-methyl-DTXSID80289513SFOFIYGIGSPKJY-UHFFFAOYSA-N1'H-Cholest-2-eno[3,2-b]indole, 1'-methyl-, (5.alpha.)-NSC61709NSC-617091'H-5.alpha.-Cholest-2-eno[3, 1'-methyl-1'H-Cholest-2-eno[3, 1'-methyl-, (5.alpha.)-1-(1,5-Dimethylhexyl)-7,12a,14a-trimethyl-1,2,3,3a,3b,4,5,5a,6,7,12,12a,12b,13,14,14a-hexadecahydrocyclopenta[5,6]naphtho[2,1-b]carbazole #1'-Methyl-1'H-5α-cholest-2-eno[3,2-b]indole
Show more names
1'H-Cholest-2-eno[3,2-b]indole, 1'-methyl-, (5α)-
Properties
Computed structural properties
- XLogP
- 11.2
- Topological polar surface area
- 4.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 758
Related reactions
0 records
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Compound notes
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