Chem
J-GLOBAL ID：200907049577118735   Nikkaji number：J39.150F

Clivorine

クリボリン
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： C21H28[N+]O7
Molecular formula furigana： C21-H28-N-O7
Molecular weight： 406.454
InChI： InChI=1S/C21H28NO7/c1-6-15-11-13(2)20(4,29-14(3)23)19(25)27-12-16-7-9-22(5)10-8-17(21(16,22)26)28-18(15)24/h6-7,11,13,17,26H,1,8-10,12H2,2-5H3/q+1/b15-11-/t13-,17-,20+,21?,22?/m1/s1
InChI key： NEHWGXHBNGZJNY-KPGDEFSBSA-N
SMILES： C[C@@H]1/C=C(/C=C)\C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@@]1(C)OC(=O)C)C23O
Systematic name  (3)：
  • (8ξ,12S,14Z)-12-アセトキシ-14,15,20,21-テトラデヒドロ-15,20-ジヒドロ-8-ヒドロキシ-4-メチル-11,16-ジオキソセネシオナン-4-イウム
  • (1R,4Z,6R,7S)-7-(アセチルオキシ)-4-エテニル-17-ヒドロキシ-6,7,14-トリメチル-3,8-ジオキソ-2,9-ジオキサ-14-アザトリシクロ[9.5.1.014,17]ヘプタデカ-4,11-ジエン-14-イウム
  • (1R,4Z,6R,7S)-7-(acetyloxy)-4-ethenyl-17-hydroxy-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadeca-4,11-dien-14-ium
Other name (3)：
  • クリボリン
  • Clivorine
  • (8ξ,12S,14Z)-12-Acetoxy-14,15,20,21-tetradehydro-15,20-dihydro-8-hydroxy-4-methyl-11,16-dioxosenecionan-4-ium
CAS registry number： 33979-15-6
Regulation number (1)：
  • VT5800000
KEGG COMPOUND： C10282
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