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10-Methoxy-12a,14a-dimethyl-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

HCID 41460
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Basic information

CAS
55493-86-2
Standard SMILES
COc1ccc2[nH]c3c(c2c1)CC1(C)C(CCC2C1CCC1(C)C(C(C)CCCC(C)C)CCC21)C3
InChIKey
YKXCYDVYYYGRBA-UHFFFAOYSA-N
Molecular formula
C34H51NO
Average molar mass
489.8 g/mol
Monoisotopic mass
489.39706525

Names & identifiers

Preferred name
10-Methoxy-12a,14a-dimethyl-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
20-methoxy-1,5-dimethyl-6-(6-methylheptan-2-yl)-16-azahexacyclo[11.11.0.02,10.05,9.015,23.017,22]tetracosa-15(23),17(22),18,20-tetraene

Names & synonyms

55493-86-210-Methoxy-12a,14a-dimethyl-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]carbazoleDTXSID50970840YKXCYDVYYYGRBA-UHFFFAOYSA-N1'H-Cholest-2-eno[3,2-b]indole, 5'-methoxy-, (5.alpha.)-DB-2159281-(1,5-Dimethylhexyl)-10-methoxy-12a,14a-dimethyl-1,2,3,3a,3b,4,5,5a,6,7,12,12a,12b,13,14,14a-hexadecahydrocyclopenta[5,6]naphtho[2,1-b]carbazole #

Database identifiers

CAS
55493-86-2
PubChem CID
41460
DTXSID
DTXSID50970840

Properties

Computed structural properties

XLogP
11.3
Topological polar surface area
25 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
36
Formal charge
0
Complexity
779

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Compound notes

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