Structure database (LMSD)

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LM IDLMST01030107
Common Name-
Systematic Name4α,14α-dimethyl-24-methylene-cholest-7,9(11)-dien-3β-ol
Synonyms-
Exact Mass
424.3705 (neutral)    Calculate m/z:
FormulaC30H48O
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassErgosterols and C24-methyl derivatives [ST0103]
LIPIDBANK IDSST9110
PubChem CID5283649
InChIKeyMQQBTSOGCQNWAX-VSADUBDNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C30H48O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h12,14,19,21-24,27,31H,3,9-11,13,15-18H2,1-2,4-8H3/t21-,22+,23-,24+,27+,28+,29-,30+/m1/s1
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SMILES
C1[C@]2(C)C3=CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)C(C)C)CC[C@@]4(C)C3=CC[C@@]2([H])[C@H](C)[C@@H](O)C1
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings4Aromatic Rings0Rotatable Bonds5
 van der Waals
Molecular Volume
478.99Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.40Molar
Refractivity
133.23