Cas no 78853-02-8 (2-[[(1S,4aR)-Decahydro-2β-hydroxy-2,5,5,8aα-tetramethylnaphthalen-1-yl]methyl]-3,6-dihydroxybenzaldehyde)
![2-[[(1S,4aR)-Decahydro-2β-hydroxy-2,5,5,8aα-tetramethylnaphthalen-1-yl]methyl]-3,6-dihydroxybenzaldehyde structure](https://ossimg.kuujia.com/scimg/79000/78853-02-8x500.png)
78853-02-8 structure
Product Name:2-[[(1S,4aR)-Decahydro-2β-hydroxy-2,5,5,8aα-tetramethylnaphthalen-1-yl]methyl]-3,6-dihydroxybenzaldehyde
CAS No:78853-02-8
MF:C22H32O4
MW:360.487087249756
CID:1793253
Update Time:2024-03-01
2-[[(1S,4aR)-Decahydro-2β-hydroxy-2,5,5,8aα-tetramethylnaphthalen-1-yl]methyl]-3,6-dihydroxybenzaldehyde Chemical and Physical Properties
Names and Identifiers
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- 2-[[(1S,4aR)-Decahydro-2β-hydroxy-2,5,5,8aα-tetramethylnaphthalen-1-yl]methyl]-3,6-dihydroxybenzaldehyde
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- Inchi： 1S/C22H32O4/c1-20(2)9-5-10-21(3)18(20)8-11-22(4,26)19(21)12-14-15(13-23)17(25)7-6-16(14)24/h6-7,13,18-19,24-26H,5,8-12H2,1-4H3
- InChI Key： ASIYDTZMRHYFMC-UHFFFAOYSA-N
- SMILES： CC1(C2C(C(C(CC2)(O)C)CC2C(C=O)=C(O)C=CC=2O)(C)CCC1)C
Computed Properties
- Exact Mass: 360.23
- Monoisotopic Mass: 360.23
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 532
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 77.8A^2
2-[[(1S,4aR)-Decahydro-2β-hydroxy-2,5,5,8aα-tetramethylnaphthalen-1-yl]methyl]-3,6-dihydroxybenzaldehyde Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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