Anodyne| Tremortin | |
|---|---|
 | |
| Molecular structure via molpic | |
| Conformer structure via 3Dmol.js | |
| Molecular formula | C37H44ClNO6[1] |
| Molecular mass | 634.2 g/mol[1] |
| Predicted LogP | 3.8[1] |
| Chirality | absolute[2] |
| Identifiers [] | |
|---|---|
| IUPAC name | (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol[1] |
| SMILES | CC(=C)[C@@H]1[C@@H]([C@@H]2[C@@]3(O2)[C@@H](O1)CC[C@]4([C@]3(CC[C@@H]5[C@@]4(C6=C7[C@H]5OC([C@H]8C[C@H]9[C@@]8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O[1] |
| InChI | InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1[1] |
| InChIKey | JDUWHZOLEDOQSR-JKPSMKLGSA-N[1] |
| Dosing |
|---|
Penitrem A
Penitrem A (also known as penitrem A, Tremortin A, (1S,2R,5S,6S,8R,9S,10R,12S,15R,16S,25R,27S,28R)-21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-prop-1-en-2-yl-7,11,32-trioxa-18-azadecacyclo(25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28)tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol, 21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo(25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28)tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol, 21-chloro-15,16,33,33-tetramethyl-24-methylidene-10-(prop-1-en-2-yl)-7,11,32-trioxa-18-azadecacyclo[25.4.2.02,16.05,15.06,8.06,12.017,31.019,30.022,29.025,28]tritriaconta-17(31),19,21,29-tetraene-5,9,28-triol, 634-132-0, 11076-67-8, 37203-49-9, bwvacmrmaivzbb-iblwsdbrsa-n or penitrem) is a neurotoxin substance of the diarylethylamine class.
Chemistry
Stereochemistry
Penitrem A is a absolute mixture