Annotation Hits
N
Screening or library annotations
Compound
Gambierol
NSID
NS00075420
SMILES
[H][C@@]12C[C@]3([H])O[C@]4(C)C[C@]5(C)O[C@]6([H])C=C[C@](C)(O)[C@H](O[C@@]6([H])C[C@@]5([H])O[C@@]4([H])CC[C@@]3([H])O[C@@]1([H])C[C@@]1(C)O[C@@]3(C)[C@@H](O)C[C@H](CCCO)O[C@]3([H])C[C@]1([H])O2)\C=C/C=C\CC=C
InChI
InChI=1/C43H64O11/c1-7-8-9-10-11-14-34-39(2,46)18-17-28-30(49-34)22-36-42(5,52-28)25-41(4)35(51-36)16-15-27-31(53-41)21-29-32(48-27)24-40(3)37(50-29)23-38-43(6,54-40)33(45)20-26(47-38)13-12-19-44/h7,9-11,14,17-18,26-38,44-46H,1,8,12-13,15-16,19-25H2,2-6H3/b10-9-,14-11-/t26-,27+,28+,29+,30-,31-,32-,33-,34+,35-,36+,37-,38+,39-,40+,41+,42-,43-/s2
InChIKey
GKLILONDTZZKRF-IDJCTBPMSA-N
CAS Number
146763-62-4
2D Structure
RDKit depiction
See compound in other scientific sites:
References
N
Literature / database references
Patents
N
Patent records mentioning this compound
Monoisotopic Mass
N
Placeholder value (update later)
Temporal stripes
Literature stripe
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3D Structure
Interactive 3D view based on an RDKit ETKDG conformer (auto-loaded).