Cas no 119212-24-7 (Aspidospermidine-3-carboxylicacid,2,3,6,7-tetradehydro-15-(17,18-didehydro-14,15-dihydroeburnamenin-14-yl)-16-methoxy-,methyl ester, (5a,12R,19a)- (9CI))
119212-24-7 structure
Product Name:Aspidospermidine-3-carboxylicacid,2,3,6,7-tetradehydro-15-(17,18-didehydro-14,15-dihydroeburnamenin-14-yl)-16-methoxy-,methyl ester, (5a,12R,19a)- (9CI)
CAS No:119212-24-7
MF:C41H46N4O3
MW:642.828950405121
CID:206474
Update Time:2024-03-01
Aspidospermidine-3-carboxylicacid,2,3,6,7-tetradehydro-15-(17,18-didehydro-14,15-dihydroeburnamenin-14-yl)-16-methoxy-,methyl ester, (5a,12R,19a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Aspidospermidine-3-carboxylicacid,2,3,6,7-tetradehydro-15-(17,18-didehydro-14,15-dihydroeburnamenin-14-yl)-16-methoxy-,methyl ester, (5a,12R,19a)- (9CI)
- Aspidospermidine-3-carboxylicacid,2,3,6,7-tetradehydro-15-(17,18-didehydro-14,15-dihydroeburnamenin-14-yl)-16-methoxy-,methyl
- (+)-Tenuicausine
- 1H-Indolizino[8,1-cd]carbazole,aspidospermidine-3-carboxylic acid deriv.
- 1H-Indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine,aspidospermidine-3-carboxylic acid deriv.
- Aspidospermidine-3-carboxylicacid,2,3,6,7-tetradehydro-15-(17,18-didehydro-14,15-dihydroeburnamenin-14-yl)-16-methoxy-,methyl ester, (5a,12b,19a)-
- Eburnamenine,aspidospermidine-3-carboxylic acid deriv.
- Tenuicausine
- Aspidospermidine-3-carboxylic acid, 2,3,6,7-tetradehydro-15-(17,18-didehydro-14,15-dihydroeburnamenin-14-yl)-16-methoxy-, methyl ester, (5α,12R,19α)-
-
- Inchi： 1S/C41H46N4O3/c1-5-39-14-9-17-43-19-13-26-25-11-7-8-12-31(25)45(34(26)36(39)43)32(24-39)27-21-29-30(22-33(27)47-3)42-35-28(37(46)48-4)23-40(6-2)15-10-18-44-20-16-41(29,35)38(40)44/h7-12,14-15,21-22,32,36,38,42H,5-6,13,16-20,23-24H2,1-4H3
- InChI Key： ZQWXPMGCNIJOIB-UHFFFAOYSA-N
- SMILES： O=C(C1CC2(C3N(CC=C2)CCC23C=1NC1C2=CC(C2CC3(C4N(CCC5=C4N2C2C5=CC=CC=2)CC=C3)CC)=C(OC)C=1)CC)OC
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 642.357
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 48
- Rotatable Bond Count: 6
- Complexity: 1440
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 5
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 59A^2
- XLogP3: 5.258
Experimental Properties
- Density: 1.37±0.1 g/cm3(Predicted)
- PSA: 52.54
- pka: 7.75±0.60(Predicted)
Aspidospermidine-3-carboxylicacid,2,3,6,7-tetradehydro-15-(17,18-didehydro-14,15-dihydroeburnamenin-14-yl)-16-methoxy-,methyl ester, (5a,12R,19a)- (9CI) Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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