Chem
J-GLOBAL ID:200907091301330451
Nikkaji number:J245.955H
Deltaline (alkaloid)
デルタリン【アルカロイド】
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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 H41 NO8
Molecular formula furigana:
C27-H41-N-O8
Molecular weight:
507.624
InChI:
InChI=1S/C27H41NO8/c1-7-28-12-23(3)9-8-17(32-5)26-20(23)21(36-14(2)29)27(22(26)28)25(34-13-35-27)11-16(31-4)15-10-24(26,30)19(25)18(15)33-6/h15-22,30H,7-13H2,1-6H3/t15-,16+,17+,18+,19+,20-,21+,22+,23+,24+,25-,26-,27?/m1/s1
InChI key:
DTTPWCNKTMQMTE-JVGHYNJPSA-N
SMILES:
CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@@H]2[C@H](OC(=O)C)[C@]2(OCO[C@]52C[C@H](OC)[C@H]2C[C@]3(O)[C@@H]5[C@H]2OC)[C@@H]14
Systematic name (4):
20-エチル-1α,14α,16β-トリメトキシ-4-メチル-7,8-[メチレンビス(オキシ)]アコニタン-6β,10-ジオール6-アセタート
1α,14α,16β-トリメトキシ-4-メチル-7β,8-(メチレンジオキシ)-20-エチルアコニタン-6β,10-ジオール6-アセタート
(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-14-エチル-2-ヒドロキシ-4,6,19-トリメトキシ-16-メチル-9,11-ジオキサ-14-アザヘプタシクロ[10.7.2.12,5 .01,13 .03,8 .08,12 .016,20 ]ドコサン-21-イル アセタート
(1R,2S,3S,4S,5R,6S,8R,12S,13S,16R,19S,20R,21S)-14-ethyl-2-hydroxy-4,6,19-trimethoxy-16-methyl-9,11-dioxa-14-azaheptacyclo[10.7.2.12,5 .01,13 .03,8 .08,12 .016,20 ]docosan-21-yl acetate
Other name (8):
エルデリン
Eldeline
20-Ethyl-1α,14α,16β-trimethoxy-4-methyl-7,8-[methylenebis(oxy)]aconitane-6β,10-diol 6-acetate
デルタリン【アルカロイド】
Deltaline【alkaloid】
デルタリン
Deltaline
1α,14α,16β-Trimethoxy-4-methyl-7β,8-(methylenedioxy)-20-ethylaconitane-6β,10-diol 6-acetate
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CAS registry number:
6836-11-9
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