Cas no 94061-32-2 ((4E,5S)-4-ethylidene-6-methyl-1,3,4,5,6,7-hexahydro-2,5-ethanoazocino[4,3-b]indol-6-ol)
![(4E,5S)-4-ethylidene-6-methyl-1,3,4,5,6,7-hexahydro-2,5-ethanoazocino[4,3-b]indol-6-ol structure](https://ossimg.kuujia.com/scimg/94500/94061-32-2x500.png)
94061-32-2 structure
Product Name:(4E,5S)-4-ethylidene-6-methyl-1,3,4,5,6,7-hexahydro-2,5-ethanoazocino[4,3-b]indol-6-ol
CAS No:94061-32-2
MF:C18H22N2O
MW:282.380084514618
CID:1982861
PubChem ID:6442410
Update Time:2025-04-21
(4E,5S)-4-ethylidene-6-methyl-1,3,4,5,6,7-hexahydro-2,5-ethanoazocino[4,3-b]indol-6-ol Chemical and Physical Properties
Names and Identifiers
-
- (4E,5S)-4-ethylidene-6-methyl-1,3,4,5,6,7-hexahydro-2,5-ethanoazocino[4,3-b]indol-6-ol
- 16S-Hydroxy-16,22-dihydro-(-)-apparicine
- 94061-32-2
-
- Inchi： 1S/C18H22N2O/c1-3-12-10-20-9-8-15(12)18(2,21)17-14(11-20)13-6-4-5-7-16(13)19-17/h3-7,15,19,21H,8-11H2,1-2H3/b12-3-
- InChI Key： PZYMRTAVKVZYMI-BASWHVEKSA-N
- SMILES： C/C=C1\C2C(C3=C(CN(CC2)C\1)C1C(=CC=CC=1)N3)(O)C
Computed Properties
- Exact Mass: 282.173213330Da
- Monoisotopic Mass: 282.173213330Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 448
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 39.3?2
(4E,5S)-4-ethylidene-6-methyl-1,3,4,5,6,7-hexahydro-2,5-ethanoazocino[4,3-b]indol-6-ol Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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