Chem
J-GLOBAL ID：200907071656577198   Nikkaji number：J54.476K

Batrachotoxin

バトラコトキシン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C31H42N2O6
Molecular formula furigana： C31-H42-N2-O6
Molecular weight： 538.685
InChI： InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21+,24+,27-,28-,29+,30-,31-/m0/s1
InChI key： ISNYUQWBWALXEY-OMIQOYQYSA-N
SMILES： C[C@H](OC(=O)c1c(C)c[nH]c1C)C1=CC[C@@]23OCCN(C)C[C@@]12C[C@@H](O)[C@]12O[C@]4(O)CC[C@@]1(C)[C@H](CC=C32)C4
Systematic name  (3)：
  • バトラコトキシニンA20-(2,4-ジメチル-1H-ピロール-3-カルボキシラート)
  • (1S)-1-[(1R,5R,6S,9R,11S,12R,14R)-9,12-ジヒドロキシ-6,16-ジメチル-10,19-ジオキサ-16-アザヘキサシクロ[12.5.3.15,9.01,14.02,11.06,11]トリコサ-2,21-ジエン-22-イル]エチル 2,4-ジメチル-1H-ピロール-3-カルボキシラート
  • (1S)-1-[(1R,5R,6S,9R,11S,12R,14R)-9,12-dihydroxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-dien-22-yl]ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate
Other name (4)：
  • バトラコトキシン
  • BTX
  • Batrachotoxin
  • Batrachotoxinin A 20-(2,4-dimethyl-1H-pyrrole-3-carboxylate)
CAS registry number： 23509-16-2
Regulation number (1)：
  • CR3990000
KEGG COMPOUND： C13750
Application (2)：
animal toxin ,  derived lipid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM