Chem
J-GLOBAL ID：200907066810627140   Nikkaji number：J2.271.408B

Proansamitocin

プロアンサミトシン
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： C25H35NO6
Molecular formula furigana： C25-H35-N-O6
Molecular weight： 445.556
InChI： InChI=1S/C25H35NO6/c1-15-6-5-7-24(32-4)23(30)13-21(28)16(2)9-17(3)22(29)14-25(31)26-19-10-18(8-15)11-20(27)12-19/h5-7,9,11-12,16,18,21-22,24,27-29H,8,10,13-14H2,1-4H3,(H,26,31)/b7-5+,15-6+,17-9+/t16-,18?,21-,22-,24+/m0/s1
InChI key： DEDWDPSEFIHMIZ-OFHSXEMUSA-N
SMILES： CO[C@@H]1/C=C/C=C(\C)/CC2CC(=CC(=C2)O)NC(=O)C[C@H](O)/C(=C/[C@H](C)[C@@H](O)CC1=O)/C
Systematic name  (3)：
  • (8E,10E,12R,17E)-4,15α,19β-トリヒドロキシ-12β-メトキシ-8,16β,18-トリメチル-2,6-メタノ-1-アザシクロヘニコサ-2,4,8,10,17-ペンタエン-13,21-ジオン
  • (5S,6E,8S,9S,12R,13E,15E)-5,9,20-トリヒドロキシ-12-メトキシ-6,8,16-トリメチル-2-アザビシクロ[16.3.1]ドコサ-1(21),6,13,15,19-ペンタエン-3,11-ジオン
  • (5S,6E,8S,9S,12R,13E,15E)-5,9,20-trihydroxy-12-methoxy-6,8,16-trimethyl-2-azabicyclo[16.3.1]docosa-1(21),6,13,15,19-pentaene-3,11-dione
Other name (3)：
  • (8E,10E,12R,17E)-4,15α,19β-Trihydroxy-12β-methoxy-8,16β,18-trimethyl-2,6-methano-1-azacyclohenicosa-2,4,8,10,17-pentaene-13,21-dione
  • プロアンサミトシン
  • Proansamitocin
KEGG COMPOUND： C12177
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