Chem
J-GLOBAL ID：200907039824451692   Nikkaji number：J10.351I

Delphinine

デルフィニン
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： C33H45NO9
Molecular formula furigana： C33-H45-N-O9
Molecular weight： 599.721
InChI： InChI=1S/C33H45NO9/c1-18(35)43-32-15-22(40-5)31(37)14-20(23(32)28(31)42-29(36)19-10-8-7-9-11-19)33-21(39-4)12-13-30(17-38-3)16-34(2)27(33)24(32)25(41-6)26(30)33/h7-11,20-28,37H,12-17H2,1-6H3/t20-,21+,22+,23-,24+,25+,26-,27-,28-,30+,31?,32-,33+/m1/s1
InChI key： REVYTWNGZDPRKE-KCTNCHIVSA-N
SMILES： COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@H](OC(=O)c7ccccc7)[C@@H]5[C@@](C[C@@H]6OC)(OC(=O)C)[C@@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2
Systematic name  (3)：
  • (16S)-1α,6α,16-トリメトキシ-4-(メトキシメチル)-20-メチルアコニタン-8,13,14α-トリオール8-アセタート14-ベンゾアート
  • (1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-(アセチルオキシ)-5-ヒドロキシ-6,16,18-トリメトキシ-13-(メトキシメチル)-11-メチル-11-アザヘキサシクロ[7.7.2.12,5.01,10.03,8.013,17]ノナデカン-4-イル ベンゾアート
  • (1S,2R,3R,4R,5S,6S,8R,9R,10R,13S,16S,17R,18R)-8-(acetyloxy)-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl benzoate
Other name (4)：
  • デルフィニン
  • Delphinine
  • (16S)-1α,6α,16-Trimethoxy-4-(methoxymethyl)-20-methylaconitane-8,13,14α-triol 8-acetate 14-benzoate
  • Stavesacre
CAS registry number： 561-07-9
Regulation number (1)：
  • EINECS2092140
KEGG COMPOUND： C08677
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM