Pinnatoxin A
Pinnatoxin A Structure
Systematic / IUPAC Name: (1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-Dihydroxy-11,23,24,35-tetramethyl-16-methylene-37,38,39,40,41-pentaoxa-21-azoniaoctacyclo[30.4.1.11,33 13,7 17,10 110,14 020,26 026,31]hentetraconta-20,29-diene-29-carboxylate
ID: Reference8276
Other Names: (1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-Dihydroxy-11,23,24,35-tetramethyl-16-methylene-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-29-carboxylic acid
Formula: C41H61NO9
Class: Natural Toxins
Spectral Data
Pinnatoxin A mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion with FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 581 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/25/2018 10:26:58 AM |
Identificators
| InChI | InChI=1S/C41H61NO9/c1-24-8-6-10-32-38(20-25(2)27(4)23-42-32)15-11-28(36(44)45)19-31(38)34-35-33(43)26(3)21-40(49-34,50-35)22-30-9-7-13-39(47-30)16-17-41(51-39)37(5,46)14-12-29(18-24)48-41/h19,25-27,29-31,33-35,43,46H,1,6-18,20-23H2,2-5H3,(H,44,45)/t25-,26+,27-,29-,30+,31+,33+,34-,35+,37+,38+,39+,40+,41+/m0/s1 |
| InChI Key | ZYFHPTPXLHNGQK-OICTYLSBSA-N |
| Canonical SMILES | CC1CC23CCC(=CC2C4C5C(C(CC(O4)(O5)CC6CCCC7(O6)CCC8(O7)C(CCC(O8)CC(=C)CCCC3=NCC1C)(C)O)C)O)C(=O)O |
| CAS | |
| Splash | |
| Other Names | (1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-Dihydroxy-11,23,24,35-tetramethyl-16-methylene-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-29-carboxylic acid |
In Other Databases
| ChemSpider | 9654410 |
| Wikipedia | Pinnatoxin |
| PubChem | 11479587 |