methyl (1R,12S,15R,16R,20R)-12-ethyl-16-[(1S,12S,15R,20R)-12-ethyl-8-methyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5-trien-4-yl]-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

分子结构分类

有机化合物 - 生物碱及其衍生物 - 冬青素型生物碱

中文名称

——

中文别名

——

英文名称

methyl (1R,12S,15R,16R,20R)-12-ethyl-16-[(1S,12S,15R,20R)-12-ethyl-8-methyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5-trien-4-yl]-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

英文别名

——

methyl (1R,12S,15R,16R,20R)-12-ethyl-16-[(1S,12S,15R,20R)-12-ethyl-8-methyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5-trien-4-yl]-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate化学式

CAS

——

化学式

C₄₃H₅₂N₄O₇

mdl

——

分子量

736.9

InChiKey

AXBZVPIBJWOFHO-QIEJUJDCSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.9
重原子数：

54
可旋转键数：

7
环数：

12.0
sp3杂化的碳原子比例：

0.65
拓扑面积：

112
氢给体数：

2
氢受体数：

11

同类化合物

老刺木素洛柯因桥替啶坚木碱 (+/-)-3-oxominovincine (+)-N-methylaspidospermidine N_a-formyl-16α-hydroxyaspidospermidine minovincinine (−)-20-epi-pseudocopsinine 14-isovoafoline Voafolin Jerantinine F jerantinine B Jerantinine D (1R,9R,12S,19S)-12-ethyl-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6-trien-10-one Cylindrocarpinol 1-acetyl-2,3-dehydro-8-thioaspidospermidine methyl (1R,9R,10S,12S,19S)-12-ethyl-8,16-diazahexacyclo[10.6.1.01,9.02,7.08,10.016,19]nonadeca-2,4,6-triene-10-carboxylate Dihydrovindoline 10,11-Dibromo 14β-hydroxy-2β,16β-dihydrovincadifformine (2S,3aR,5S,5aS,10bS,12bS)-3a-Ethyl-2,8-dihydroxy-2,3,3a,4,5,5a,6,11,12,12b-decahydro-1H-6,12a-diaza-indeno[7,1-cd]fluorene-5-carboxylic acid methyl ester 10-nitro vincadifformine 3-oxovincadifformine 8-thioxo-2,3-didehydro-aspidospermidine-3-carboxylic acid methyl ester 11-hydroxyvincadifformine Hazuntiphylline aspidocarpine (-)-jerantinine E 5,17-dioxo-aspidospermidine 5-oxo-aspidospermidine obscurinervidine Dihydro-obscurinervidindiol (-)-aspidosine demethylaspidospermine melodinine K subsessiline Apodine Methyl (1R,12S,20R)-12-ethyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate 2,16-dihydrovincadifformine 11-Hydroxy 2β,16β-dihydrovincadifformine 15-nitro-2βH,3βH-vincadifformine 11-Bromo 2β,16β-dihydrovincadifformine (3aS,10bS,11S,12bS)-11-Bromo-3a-ethyl-9-nitro-2,3,3a,4,6,11,12,12b-octahydro-1H-6,12a-diaza-indeno[7,1-cd]fluorene-5-carboxylic acid methyl ester (3aS,10bS,11S,12bS)-9,11-Dibromo-3a-ethyl-2,3,3a,4,6,11,12,12b-octahydro-1H-6,12a-diaza-indeno[7,1-cd]fluorene-5-carboxylic acid methyl ester (-)-6S-bromovincadifformine 19-Ethoxycarbonyl-N_a-ethyl-19-demethylaspidospermidine (+/-)-12-demethoxy-N-acetylcylindrocarine N_a-Acetyl-19-ethoxycarbonyl-19-demethylaspidospermidine rac-methyl (3aR,3a1R,12bS)-3a-(2-ethoxy-2-oxoethyl)-7-ethyl-10,11-dimethoxy-2,3,3a,3a1,7,8,13,14-octahydro-1H,4H-indolizino[8,1-cd][1,4]oxazino[2,3,4-jk]carbazole-5-carboxylate methyl (1S,12R,19R)-12-ethyl-15-oxo-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate

methyl (1R,12S,15R,16R,20R)-12-ethyl-16-[(1S,12S,15R,20R)-12-ethyl-8-methyl-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5-trien-4-yl]-4-hydroxy-5,6-dimethoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate

分子结构分类

计算性质

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