Formyl-leurosine

HCID 320745CAS 54022-49-0

部分構造検索類似構造を探す

基本情報

標準SMILES: CC[C@]12CN3CCc4c([nH]c5ccccc45)[C@@](C(=O)OC)(c4cc5c(cc4OC)N(C=O)[C@H]4[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]6(CC)C=CCN7CC[C@]54[C@@H]76)C[C@H](C3)[C@H]1O2
InChIKey: GLDSBTCHEGZWCV-HLTPFJCJSA-N
分子式: C46H54N4O10
平均分子量: 822.9 g/mol
単同位体質量: 822.38399393

概要

Formyl-leurosine has been reported in Catharanthus roseus with data available.

名称と識別子

優先名称: Formyl-leurosine
IUPAC: methyl (13S,15R,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-8-formyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylate

名称と別名

Formyl-leurosineF-Leurosinemethyl (13S,15R,16R,18S)-13-[(1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-8-formyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-18-ethyl-17-oxa-1,11-diazapentacyclo[13.4.1.04,12.05,10.016,18]icosa-4(12),5,7,9-tetraene-13-carboxylateformyl leurosinemethyl (13S,15R,16R,18S)-13-((1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-8-formyl-10-hydroxy-5-methoxy-10-methoxycarbonyl-8,16-diazapentacyclo(10.6.1.01,9.02,7.016,19)nonadeca-2,4,6,13-tetraen-4-yl)-18-ethyl-17-oxa-1,11-diazapentacyclo(13.4.1.04,12.05,10.016,18)icosa-4(12),5,7,9-tetraene-13-carboxylateRefChem:141307Vincaleukoblastine, 4'-deoxy-3',4'-epoxy-22-oxo-, (3'alpha,4'alpha)-N-Formyl leurosineVincristine Impurity GSCHEMBL2034392DTXSID60968854GLDSBTCHEGZWCV-HLTPFJCJSA-N

名称をさらに表示

(3'a,4'a)-4'-Deoxy-3',4'-epoxy-22-oxovincaleukoblastineNSC269419AKOS030242406IF2355222-Oxo-O~3'~,3'-cyclovincaleukoblastineNS00121642Vincaleukoblastine,4'-epoxy-22-oxo-, (3'.alpha.,4'.alpha.)-(6'xi)-22-Oxo-2alpha,3alpha,3'beta,4alpha,5beta,12beta,19beta-O~3'~,3'-cyclovincaleukoblastine

データベース識別子

CAS: 54022-49-0
PubChem CID: 320745
DTXSID: DTXSID60968854
Nikkaji: J1.698.636D

物性

構造計算による物性

XLogP: 2.8
極性表面積: 163 Å²
水素結合供与体数: 2
水素結合受容体数: 12
回転可能結合数: 10
重原子数: 60
形式電荷: 0
複雑度: 1,800