Structure database (LMSD)

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LM IDLMST01090000
Common NameFuropirostane skeleton
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategorySterol Lipids [ST]
Main ClassSterols [ST01]
Sub ClassFurospirostanols and derivatives [ST0109]
PubChem CID73946271
InChIKeyJSDSJUPEGNNVNX-NERVNPJOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C27H44O2/c1-17-23-22(28-27(17)15-14-24(2,3)29-27)16-21-19-10-9-18-8-6-7-12-25(18,4)20(19)11-13-26(21,23)5/h17-23H,6-16H2,1-5H3/t17-,18?,19+,20-,21-,22-,23-,25-,26-,27-/m0/s1
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SMILES
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@H]5C[C@@]4([H])[C@]3([H])CCC2CCC1)CC[C@](C)(C)O6)C
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings6Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
419.08Topological Polar
Surface Area
22.60Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP7.82Molar
Refractivity
117.92