[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-yl] acetate

分子结构分类

有机化合物 - 生物碱及其衍生物 - 大灵碱生物碱

中文名称

——

中文别名

——

英文名称

[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-yl] acetate

英文别名

——

[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-yl] acetate化学式

CAS

——

化学式

C₄₅H₅₄N₄O₆

mdl

——

分子量

746.9

InChiKey

REOIONKDLKREKD-FMOGNJRXSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

4.9
重原子数：

55
可旋转键数：

6
环数：

10.0
sp3杂化的碳原子比例：

0.56
拓扑面积：

87.4
氢给体数：

0
氢受体数：

8

同类化合物

马枯素C 马枯素B 钩吻素戊萨杷晋碱维洛斯明碱洛柯碱妥包嗪大斯配加春双斯配加春佩西立文二氢派利文碱 [（1S，12S，14R，15E）-15-亚乙基-3-甲基-3,17-二氮杂环[12.3.1.02,10.04,9.012,17]十八碳-2（10），4,6,8-四烯-13-基]甲醇 16-表萨杷晋碱 11-甲氧基马枯素A (+)-阿枯米定碱 Na-Methyl-Nb-carbophenoxy-apogardnerine O-acetylperhentidine C (3R)-3,17-epoxy-11-methoxy-22-nor-vobasane-4-carboxylic acid amide perhentidine C 18-Chlor-eburnaphyllin 17,21-Dideoxyajmalol B Eburnaphyllinol 2-Benzyl-1β,3β-<2-(1-cyanpropyl)-3β-hydroxymethyl-propano>-9-methyl-1,2,3,4-tetrahydro-9H-pyrido<3,4-b>indol Mono-O-acetyl-desoxy-eburnaphyllinol N-Monoacetyl-N(b),21-dihydro-talpinin Eburnaphyllin 2-(12-benzoyl-9-hydroxymethyl-5-methyl-6,7,8,9,10,11-hexahydro-5H-6,10-epiazano-cycloocta[b]indol-8-yl)-butyronitrile N(b),21-Dihydro-talpinin Desoxy-eburnaphyllinol N(b),O-Diacetyl-N(b)-21-dihydro-talpinin N(a)-Methylgardnerine acetate N(a),N(b)-Dimethyl-3-hydroxy-3,4-seco-gardnerine Na,Nb-Dimethylapogardnerine (2S,6S,12bS,13S)-13-Acetoxymethyl-3-eth-(E)-ylidene-12-methyl-1,3,4,7,12,12b-hexahydro-2H,6H-2,6-methano-indolo[2,3-a]quinolizine-13-carboxylic acid methyl ester 19,20-Dihydrogardnerin O,O'-diacetyl-akuammidinol 10-Methoxy-13-methyl-3-vinyl-1,3,4,7,12,12b-hexahydro-2H,6H-2,6-methano-indolo[2,3-a]quinolizine Accedinisin Voachalotine aldehyde Voachalotine aldehyde N(a)-Methyl-epi-affinin O-Acetyl-Accedinisin 1-[(2S,12bS)-2-(2-Hydroxy-1-hydroxymethyl-ethyl)-1,2,6,7,12,12b-hexahydro-indolo[2,3-a]quinolizin-3-yl]-ethanone 3-(17-hydroxy-1-methyl-19,20-dihydro-sarpagan-10-yl)-19,20-dihydro-vobasan-17-oic acid methyl ester akuammidine-N-oxide 1-methyl-vobasane-3,17-diol 20-hydroxy-(20βH)-20,21-dihydro-alstophyllan-19-one 20-hydroxy-(20αH)-19,20-dihydro-alstophyllan-19-one

[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-yl] acetate

分子结构分类

计算性质

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