Chem
J-GLOBAL ID:200907095672912017
Nikkaji number:J12.664K
Resimetol
レシメトール
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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 H38 N2 O8
Molecular formula furigana:
C33-H38-N2-O8
Molecular weight:
590.673
InChI:
InChI=1S/C33H38N2O8/c1-39-20-7-8-21-22-11-12-35-17-19-14-28(43-29(37)10-6-18-5-9-26(36)27(13-18)40-2)32(41-3)30(33(38)42-4)23(19)16-25(35)31(22)34-24(21)15-20/h5-10,13,15,19,23,25,28,30,32,34,36H,11-12,14,16-17H2,1-4H3/b10-6+/t19-,23+,25-,28-,30+,32+/m1/s1
InChI key:
MMUMZMIKZXSFSD-ADSVITMPSA-N
SMILES:
CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)/C=C/c1ccc(O)c(OC)c1
Systematic name (5):
(3β,20α)-11,17α-ジメトキシ-18β-[[(E)-3-(4-ヒドロキシ-3-メトキシフェニル)-1-オキソ-2-プロペニル]オキシ]ヨヒンバン-16β-カルボン酸メチル
(3β,20α)-18β-[(4-ヒドロキシ-3-メトキシ-trans-シンナモイル)オキシ]-11,17α-ジメトキシヨヒンバン-16β-カルボン酸メチル
(3β,20α)-18β-[[(E)-3-(4-ヒドロキシ-3-メトキシフェニル)-1-オキソ-2-プロペニル]オキシ]-11,17α-ジメトキシヨヒンバン-16β-カルボン酸メチル
メチル (1R,15S,17R,18R,19S,20S)-17-{[(2E)-3-(4-ヒドロキシ-3-メトキシフェニル)プロパ-2-エノイル]オキシ}-6,18-ジメトキシ-3,13-ジアザペンタシクロ[11.8.0.02,10 .04,9 .015,20 ]ヘンイコサ-2(10),4,6,8-テトラエン-19-カルボキシラート
methyl (1R,15S,17R,18R,19S,20S)-17-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-6,18-dimethoxy-3,13-diazapentacyclo[11.8.0.02,10 .04,9 .015,20 ]henicosa-2(10),4,6,8-tetraene-19-carboxylate
Other name (9):
レシメトール
Resimetol
Rescimetol
レスシメトール
O-(4-ヒドロキシ-3-メトキシ-trans-シンナモイル)レセルピン酸メチル
Methyl O-(4-hydroxy-3-methoxy-trans-cinnamoyl)reserpate
(3β,20α)-18β-[[(E)-3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-11,17α-dimethoxyyohimban-16β-carboxylic acid methyl ester
(3β,20α)-11,17α-Dimethoxy-18β-[[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]yohimban-16β-carboxylic acid methyl ester
(3β,20α)-18β-[(4-Hydroxy-3-methoxy-trans-cinnamoyl)oxy]-11,17α-dimethoxyyohimban-16β-carboxylic acid methyl ester
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CAS registry number:
73573-42-9
Regulation number (2):
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