Molecule

ID:125529

General Information
Structure
MolImage
Molecular Formula
C₂₉H₄₈O
Molecular Mass
412.69082
Exact Mass
412.37051616
Charge
0
InChI
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3/t20-,21-,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey
ARVGMISWLZPBCH-XHVHEOSNSA-N
Canonic Smiles
CC[C@@H](C(C)C)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1C2=CC=C2[C@]1(C)CC[C@@H](C2)O)C
Isomeric Smiles
O[C@@H]1CC2=CC=C3[C@H](CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CC[C@@H](CC)C(C)C)C)[C@@]2(C)CC1
Calculated Properties
JChem
Acid pKa
18.270805
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
7.438897
LogD (pH = 7.4)
7.438897
Log P
7.438897
Molar Refractivity
130.6161
Polarizability
51.43686
Polar Surface Area
20.23
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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