cucurbitacin I

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 112
Total Number of Articles : 111
PubChem 5281321
Molecular Formula

C30H42O7

SMILES

C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O

InChI

InChI=1S/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3/b12-11+/t17-,19-,20+,23+,27+,28-,29+,30+/m1/s1

synonyms
  • Cucurbitacin I
  • 2222-07-3
  • Elatericin B
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Properties
Property Value
MW 514.6 g/mol
HBD 4
HBA 7
Rotatable Bond Count 4
Exact Mass 514.29305367 g/mol
Monoisotopic Mass 514.29305367 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 8
Covalent Unit Count 1
Complexity 1160
xlogp 2.7
Topological Polar Surface Area 132