Cas no 171864-76-9 (Tsugicoline A)
Tsugicoline A structure
Product Name:Tsugicoline A
CAS No:171864-76-9
MF:C15H22O4
MW:266.332785129547
CID:218595
Update Time:2024-03-01
Tsugicoline A Chemical and Physical Properties
Names and Identifiers
-
- 2H-Cyclobut[e]inden-2-one,1,4,4a,5,6,7,7a,7b-octahydro-1,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-,(1S,4S,4aR,7aS,7bR)-
- 2H-Cyclobut[e]inden-2-one,1,4,4a,5,6,7,7a,7b-octahydro-1,4-dihydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-,[1S-(1a,4b,4ab,7ab,7ba)]-
- Tsugicolin A
- Tsugicoline A
- NSC689629
- NCI60_032270
-
- Inchi： 1S/C15H22O4/c1-14(2)4-7-9(5-14)15(3)10(12(18)13(15)19)8(6-16)11(7)17/h7,9,11,13,16-17,19H,4-6H2,1-3H3/t7-,9+,11+,13-,15-/m1/s1
- InChI Key： PAMKMSXEULAYKN-TZBUPLKMSA-N
- SMILES： O[C@@H]1C(C2=C(CO)[C@H]([C@@H]3CC(C)(C)C[C@@H]3[C@]21C)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 479
- Topological Polar Surface Area: 77.8
Tsugicoline A 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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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