Cas no 870995-64-5 (5-Methoxystrictamine)
5-Methoxystrictamine structure
Product Name:5-Methoxystrictamine
CAS No:870995-64-5
MF:C21H24N2O3
MW:352.426865577698
CID:836784
PubChem ID:102004590
Update Time:2024-10-26
5-Methoxystrictamine Chemical and Physical Properties
Names and Identifiers
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- 5-Methoxystrictamine
- Methyl (5α,19Z)-5-methoxyakuammilan-17-oate
- Methyl (5Alpha,19Z)-5-methoxyakuammilan-17-oate
- [ "" ]
- Methyl (2R,3E,5S,6S,7aR,12bS,13R)-3-ethylidene-1,3,4,6,7,12b-hexahydro-6-methoxy-2H-2,7a-methanoindolo[2,3-a]quinolizine-13-carboxylate (ACI)
- 5α-Methoxystrictamine
- Methyl (5α,16R,19E)-5-methoxyakuammilan-17-oate
- methyl (1R,10S,13E,16S)-13-ethylidene-16-methoxy-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
- 870995-64-5
-
- Inchi： 1S/C21H24N2O3/c1-4-12-11-23-16-9-13(12)18(20(24)26-3)21(10-17(23)25-2)14-7-5-6-8-15(14)22-19(16)21/h4-8,13,16-18H,9-11H2,1-3H3/b12-4-/t13-,16-,17-,18-,21-/m0/s1
- InChI Key： FNXBCZCMPCVOPU-BCXMPCNUSA-N
- SMILES： C([C@@H]1[C@H]2C[C@@H]3N(C/C/2=C/C)[C@H](C[C@@]21C1C=CC=CC=1N=C23)OC)(=O)OC
Computed Properties
- Exact Mass: 352.17900
- Monoisotopic Mass: 352.179
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 687
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.1A^2
- XLogP3: 1.8
Experimental Properties
- Color/Form: Powder
- PSA: 51.13000
- LogP: 2.19980
5-Methoxystrictamine Security Information
- Storage Condition：Store at room temperature, 2-8 ℃ is better
5-Methoxystrictamine Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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