Structure Database (LMSD)

Systematic Name
24-methylene-cholestan-3β-ol
Synonyms
LM ID
LMST01030116
Formula
Exact Mass
Calculate m/z
400.370515
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
NYWZDGGKTLARLX-PGAJIAHISA-N
InChi (Click to copy)
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18,20-26,29H,3,7-17H2,1-2,4-6H3/t20-,21+,22+,23+,24-,25+,26+,27+,28-/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)C(C)C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O)C1

Other Databases

CHEBI ID
LIPIDBANK ID
SST9118
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 449.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.92
Molar Refractivity 124.11

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Created at
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Updated at
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