Chem
J-GLOBAL ID:200907021563262025
Nikkaji number:J148.906B
Beiwutine
ベイウチン
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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:
C33 H45 NO12
Molecular formula furigana:
C33-H45-N-O12
Molecular weight:
647.718
InChI:
InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18?,19-,20-,21-,22+,23-,24+,25-,26+,27-,29-,30?,31-,32+,33-/m0/s1
InChI key:
GPTAWZLFSGYZGC-BGHBXGFASA-N
SMILES:
COC[C@]12CN(C)[C@@H]3[C@@H]4[C@H](OC)[C@H]1[C@@]3([C@H](CC2O)OC)[C@]1(O)C[C@]2(O)[C@H](OC(=O)c3ccccc3)[C@@H]1[C@]4(OC(=O)C)[C@@H](O)[C@@H]2OC
Systematic name (6):
1α,6α,16β-トリメトキシ-4-(メトキシメチル)-20-メチルアコニタン-3α,8,10,13,14α,15α-ヘキサオール8-アセタート14-ベンゾアート
4-(メトキシメチル)-20-メチル-1α,6α,16β-トリメトキシアコニタン-3α,8,10,13,14α,15α-ヘキサオール8-アセタート14-ベンゾアート
20-メチル-1α,6α,16β-トリメトキシ-4-(メトキシメチル)アコニタン-3α,8,10,13,14α,15α-ヘキサオール8-アセタート14-ベンゾアート
8-アセトキシ-3α,10,13,15α-テトラヒドロキシ-4-(メトキシメチル)-1α,6α,16β-トリメトキシ-14α-(ベンゾイルオキシ)-20-メチルアコニタン
(1R,2S,3S,4R,5R,6S,7S,8S,9R,10R,13R,14R,16S,17R,18R)-8-(アセチルオキシ)-2,5,7,14-テトラヒドロキシ-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
(1R,2S,3S,4R,5R,6S,7S,8S,9R,10R,13R,14R,16S,17R,18R)-8-(acetyloxy)-2,5,7,14-tetrahydroxy-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
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Other name (10):
10-ヒドロキシメサコニチン
ベイウチン
Beiwutine
10-Hydroxymesaconitine
1α,6α,16β-Trimethoxy-4-(methoxymethyl)-20-methylaconitane-3α,8,10,13,14α,15α-hexol 8-acetate 14-benzoate
4-(Methoxymethyl)-20-methyl-1α,6α,16β-trimethoxyaconitane-3α,8,10,13,14α,15α-hexol 8-acetate 14-benzoate
20-Methyl-1α,6α,16β-trimethoxy-4-(methoxymethyl)aconitane-3α,8,10,13,14α,15α-hexaol 8-acetate 14-benzoate
N-デエチル-N-メチルアコニフィン
N-Deethyl-N-methylaconifine
8-Acetoxy-3α,10,13,15α-tetrahydroxy-4-(methoxymethyl)-1α,6α,16β-trimethoxy-14α-(benzoyloxy)-20-methylaconitane
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CAS registry number:
76918-93-9
Regulation number (1):
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