Cas no 162762-94-9 (2(5H)-Furanone,3-[(1E)-2-[(1S,4R,4aS,8aR)-decahydro-4-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]-)
![2(5H)-Furanone,3-[(1E)-2-[(1S,4R,4aS,8aR)-decahydro-4-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]- structure](https://ossimg.kuujia.com/scimg/163000/162762-94-9x500.png)
162762-94-9 structure
Product Name:2(5H)-Furanone,3-[(1E)-2-[(1S,4R,4aS,8aR)-decahydro-4-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]-
CAS No:162762-94-9
MF:C20H28O3
MW:316.434526443481
CID:156552
Update Time:2024-11-07
2(5H)-Furanone,3-[(1E)-2-[(1S,4R,4aS,8aR)-decahydro-4-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2(5H)-Furanone,3-[(1E)-2-[(1S,4R,4aS,8aR)-decahydro-4-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]-
- 2(5H)-Furanone,3-[2-(decahydro-4-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl)ethenyl]-,[1S-[1a(E),4a,4ab,8aa]]-
- Yunnancoronarin B
- 2(5H)-Furanone, 3-[(1E)-2-[(1S,4R,4aS,8aR)-decahydro-4-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]-
-
- Inchi： 1S/C20H28O3/c1-13-12-16(21)17-19(2,3)9-5-10-20(17,4)15(13)7-6-14-8-11-23-18(14)22/h6-8,15-17,21H,1,5,9-12H2,2-4H3/b7-6+/t15-,16+,17-,20+/m0/s1
- InChI Key： ALSRJBHEUPQISY-ITULZCSASA-N
- SMILES： O1CC=C(/C=C/[C@@H]2[C@]3(C)[C@]([H])(C(C)(C)CCC3)[C@H](O)CC2=C)C1=O
Computed Properties
- Exact Mass: 316.20394
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- XLogP3: 4.75
Experimental Properties
- Density: 1.10±0.1 g/cm3(Predicted)
- Boiling Point: 473.4±45.0 °C(Predicted)
- PSA: 46.53
- pka: 14.54±0.70(Predicted)
2(5H)-Furanone,3-[(1E)-2-[(1S,4R,4aS,8aR)-decahydro-4-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
162762-94-9 (2(5H)-Furanone,3-[(1E)-2-[(1S,4R,4aS,8aR)-decahydro-4-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]-) Related Products
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