Cas no 59813-32-0 (Scandomeline)
Scandomeline structure
Product Name:Scandomeline
CAS No:59813-32-0
MF:C42H46N4O6
MW:702.837851047516
CID:2000451
Update Time:2025-03-12
Scandomeline Chemical and Physical Properties
Names and Identifiers
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- Scandomeline
- Aspidospermidine-3-carboxylic acid, 2,3-didehydro-6,7-epoxy-8-[(6R,6aR,7aS,11aS,13aS,14R)-5,6,6a,7,12,13-hexahydro-6-hydroxy-6a-(methoxycarbonyl)-14-methyl-11aH-6,7a-methano-10H-indolizino[1',8':2,3,4]cyclopenta[1,2-c]quinolin-2-yl]-, methyl ester, (5α,6β,7β,8α,12R,19α)- (9CI)
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- Inchi： 1S/C42H46N4O6/c1-5-37-20-24(33(47)50-3)31-39(25-9-6-7-10-27(25)43-31)14-18-46(34(37)39)29(30-32(37)52-30)23-11-12-28-26(19-23)40-15-17-45-16-8-13-38(35(40)45)21-41(40,36(48)51-4)42(49,44-28)22(38)2/h6-13,19,22,29-30,32,34-35,43-44,49H,5,14-18,20-21H2,1-4H3
- InChI Key： YXDCKRQOMLXYAV-UHFFFAOYSA-N
- SMILES： CCC12C3C(O3)C(C3C=C4C(NC5(C6(C74C4C(C=CCN4CC7)(C6)C5C)C(OC)=O)O)=CC=3)N3C1C1(C(NC4C1=CC=CC=4)=C(C(OC)=O)C2)CC3
Experimental Properties
- Density: 1.48±0.1 g/cm3(Predicted)
- pka: 12.70±0.60(Predicted)
Scandomeline Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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