Pinnatoxin G
AlkaPlorer ID: AK000775
Synonym: None
IUPAC Name: (1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-29-ethenyl-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.11,33.13,7.17,10.110,14.020,26.026,31]hentetraconta-20,29-diene-11,34-diol
Structure
SMILES: C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C=C
InChI: InChI=1S/C42H63NO7/c1-7-30-13-17-39-22-27(3)29(5)25-43-34(39)12-8-10-26(2)20-31-14-16-38(6,45)42(47-31)19-18-40(50-42)15-9-11-32(46-40)24-41-23-28(4)35(44)37(49-41)36(48-41)33(39)21-30/h7,21,27-29,31-33,35-37,44-45H,1-2,8-20,22-25H2,3-6H3/t27-,28+,29-,31-,32+,33+,35+,36-,37+,38+,39+,40+,41+,42+/m0/s1
InChIKey: HHJLLPFQZCUZAJ-HZOPFIBCSA-N
Reference
Isolation, Structural Determination and Acute Toxicity of Pinnatoxins E, F and G
PubChem CID: 46222658
Source
Properties Information
Molecule Weight: 693.9660000000002
TPSA？: 98.97000000000001
MolLogP？: 7.715500000000012
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 8