Chem
J-GLOBAL ID:200907073863091419
Nikkaji number:J630.293I
Acetylbrowniine
アセチルブラウニイン
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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:
C27 H43 NO8
Molecular formula furigana:
C27-H43-N-O8
Molecular weight:
509.640
InChI:
InChI=1S/C27H43NO8/c1-7-28-12-24(13-32-3)9-8-18(34-5)26-16-10-15-17(33-4)11-25(30,19(16)20(15)36-14(2)29)27(31,23(26)28)22(35-6)21(24)26/h15-23,30-31H,7-13H2,1-6H3/t15-,16-,17+,18+,19-,20+,21-,22+,23+,24+,25-,26+,27?/m1/s1
InChI key:
BQMFTYVYHRJVMQ-ZGMNEHOFSA-N
SMILES:
CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC(=O)C)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14
Systematic name (5):
(16S)-20-エチル-1α,6β,16-トリメトキシ-4-(メトキシメチル)アコニタン-7,8,14α-トリオール14-アセタート
1α,6β,16β-トリメトキシ-4-(メトキシメチル)-20-エチルアコニタン-7,8,14α-トリオール14-アセタート
20-エチル-1α,6β,16β-トリメトキシ-4-(メトキシメチル)アコニタン-7,8,14α-トリオール14-アセタート
(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-エチル-8,9-ジヒドロキシ-6,16,18-トリメトキシ-13-(メトキシメチル)-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 アセタート
(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5 .01,10 .03,8 .013,17 ]nonadecan-4-yl acetate
Other name (9):
ブロウニイン14-アセタート
Browniine 14-acetate
(16S)-20-Ethyl-1α,6β,16-trimethoxy-4-(methoxymethyl)aconitane-7,8,14α-triol 14-acetate
1α,6β,16β-Trimethoxy-4-(methoxymethyl)-20-ethylaconitane-7,8,14α-triol 14-acetate
14-アセチルブロウニイン
14-Acetylbrowniine
20-Ethyl-1α,6β,16β-trimethoxy-4-(methoxymethyl)aconitane-7,8,14α-triol 14-acetate
Acetylbrowniine
アセチルブラウニイン
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CAS registry number:
65601-04-9
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