Chem
J-GLOBAL ID：200907090891843053   Nikkaji number：J2.364.570J

Incednine

インセドニン
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： C42H63N3O8
Molecular formula furigana： C42-H63-N3-O8
Molecular weight： 737.979
InChI： InChI=1S/C42H63N3O8/c1-28-16-12-13-20-36(53-41-38(44-8)39(46)35(27-50-41)52-37-24-23-33(43-7)32(5)51-37)42(6,48)25-14-10-11-17-30(3)26-34(49-9)40(47)45-31(4)22-21-29(2)19-15-18-28/h10-21,25-26,31-33,35-39,41,43-44,46,48H,22-24,27H2,1-9H3,(H,45,47)/b11-10+,16-12+,19-15+,20-13-,25-14+,28-18+,29-21+,30-17+,34-26-/t31-,32+,33-,35+,36-,37-,38+,39-,41-,42+/m0/s1
InChI key： VTEKRFJHUHAGJO-WNETYGQVSA-N
SMILES： CN[C@H]1CC[C@H](O[C@@H]2CO[C@@H](O[C@H]3/C=C\C=C\C(=C\C=C\C(=C\C[C@H](C)NC(=O)/C(=C/C(=C/C=C/C=C/[C@@]3(C)O)/C)/OC)\C)\C)[C@H](NC)[C@H]2O)O[C@@H]1C
Systematic name  (3)：
  • (2Z,4E,6E,8E,10R,11S,12Z,14E,16E,18E,20E,23S)-2-メトキシ-4,10,16,20-テトラメチル-10-ヒドロキシ-11-[[2-(メチルアミノ)-4-O-[4-(メチルアミノ)-2,3,4,6-テトラデオキシ-β-D-erythro-ヘキソピラノシル]-2-デオキシ-β-D-キシロピラノシル]オキシ]-23-アミノテトラコサ-2,4,6,8,12,14,16,18,20-ノナエン酸1,23-ラクタム
  • (3Z,5E,7E,9E,11R,12S,13Z,15E,17E,19E,21E,24S)-11-ヒドロキシ-12-{[(2S,3R,4R,5R)-4-ヒドロキシ-5-{[(2S,5S,6R)-6-メチル-5-(メチルアミノ)オキサン-2-イル]オキシ}-3-(メチルアミノ)オキサン-2-イル]オキシ}-3-メトキシ-5,11,17,21,24-ペンタメチル-1-アザシクロテトラコサ-3,5,7,9,13,15,17,19,21-ノナエン-2-オン
  • (3Z,5E,7E,9E,11R,12S,13Z,15E,17E,19E,21E,24S)-11-hydroxy-12-{[(2S,3R,4R,5R)-4-hydroxy-5-{[(2S,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]oxy}-3-(methylamino)oxan-2-yl]oxy}-3-methoxy-5,11,17,21,24-pentamethyl-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one
Other name (3)：
  • (2Z,4E,6E,8E,10R,11S,12Z,14E,16E,18E,20E,23S)-2-Methoxy-4,10,16,20-tetramethyl-10-hydroxy-11-[[2-(methylamino)-4-O-[4-(methylamino)-2,3,4,6-tetradeoxy-β-D-erythro-hexopyranosyl]-2-deoxy-β-D-xylopyranosyl]oxy]-23-aminotetracosa-2,4,6,8,12,14,16,18,20-nonaenoic acid 1,23-lactam
  • インセドニン
  • Incednine
CAS registry number： 869768-51-4
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM