Structure database (LMSD)

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LM IDLMPK11000002
Common NameCytochalasin B (W)
Systematic Name-
Synonyms-
Exact Mass
479.2672 (neutral)    Calculate m/z:
FormulaC29H37NO5
CategoryPolyketides [PK]
Main ClassCytochalasins [PK11]
Sub Class-
PubChem CID5311281
CAYMAN ID11328
InChIKeyGBOGMAARMMDZGR-TYHYBEHESA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3
)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,2
6-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,
26+,27-,29-/m1/s1
SMILES[C@@H]1(C)C(=C)[C@@H](O)[C@@H]2C=CC[C@H](C)CCC[C@@H](O)C=CC(=O)O[C@@]32C(=O)N[C@
@H](CC2C=CC=CC=2)[C@]13[H]
MS SpectraView MoNA MS spectra     
StatusActive
ReferencesThe Journal of Cell Biology, Vol 92, 69-78, 1982
Calculated physicochemical properties (?):
 Heavy Atoms35Rings4Aromatic Rings1Rotatable Bonds2
 van der Waals
Molecular Volume
483.75Topological Polar
Surface Area
97.93Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP4.64Molar
Refractivity
136.16