Cas no 21631-00-5 (4-acetoxy-3-hydroxy-16-methoxy-15-(18-methoxycarbonyl-5,18-seco-ibogamin-18-yl)-1-methyl-6,7-didehydro-aspidospermidine-3-carboxylic acid methyl ester)
21631-00-5 structure
Product Name:4-acetoxy-3-hydroxy-16-methoxy-15-(18-methoxycarbonyl-5,18-seco-ibogamin-18-yl)-1-methyl-6,7-didehydro-aspidospermidine-3-carboxylic acid methyl ester
CAS No:21631-00-5
MF:C46H58N4O8
MW:794.974732875824
CID:2029373
Update Time:2025-04-05
4-acetoxy-3-hydroxy-16-methoxy-15-(18-methoxycarbonyl-5,18-seco-ibogamin-18-yl)-1-methyl-6,7-didehydro-aspidospermidine-3-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-acetoxy-3-hydroxy-16-methoxy-15-(18-methoxycarbonyl-5,18-seco-ibogamin-18-yl)-1-methyl-6,7-didehydro-aspidospermidine-3-carboxylic acid methyl ester
- Desoxy-vinblastin 'A'
- Vincaleukoblastine, 4'-deoxy-, (4'β)-
-
- Inchi： 1S/C46H58N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,22-23,28-29,38-40,47,54H,8-9,15,17-21,24-26H2,1-7H3
- InChI Key： AGKYIOIIEPFTEV-UHFFFAOYSA-N
- SMILES： CCC1CN2CCC3C4C(=CC=CC=4)NC=3C(C3C(OC)=CC4N(C5C(C(OC)=O)(O)C(OC(=O)C)C6(C7N(CC=C6)CCC57C=4C=3)CC)C)(C(OC)=O)CC(C2)C1
Experimental Properties
- Density: 1.34±0.1 g/cm3(Predicted)
- pka: 11.36±0.60(Predicted)
4-acetoxy-3-hydroxy-16-methoxy-15-(18-methoxycarbonyl-5,18-seco-ibogamin-18-yl)-1-methyl-6,7-didehydro-aspidospermidine-3-carboxylic acid methyl ester Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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