Cas no 55732-45-1 (Phlomiol)
Phlomiol structure
Product Name:Phlomiol
CAS No:55732-45-1
MF:C17H26O13
MW:438.380547046661
CID:944426
PubChem ID:24721557
Update Time:2024-02-29
Phlomiol Chemical and Physical Properties
Names and Identifiers
-
- 7-epiphlomiol
- 7-EPI-PHLOMIOL
- Phlomiol
- 55732-45-1
- methyl (1S,4aR,5R,6R,7S,7aS)-4a,5,6,7,7a-pentahydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,6-dihydro-1H-cyclopenta[c]pyran-4-carboxylate
- D85058
- Cyclopenta(c)pyran-4-carboxylic acid, 1-(bet-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-4a,5,6,7-tetrahydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,6alpha,7alpha,7aalpha))-
-
- Inchi： 1S/C17H26O13/c1-16(25)10-15(30-14-9(21)8(20)7(19)6(3-18)29-14)28-4-5(13(24)27-2)17(10,26)12(23)11(16)22/h4,6-12,14-15,18-23,25-26H,3H2,1-2H3/t6-,7-,8+,9-,10-,11+,12-,14+,15+,16-,17+/m1/s1
- InChI Key： QNOVPOGNFVHQOK-FXFRRNMTSA-N
- SMILES： O[C@@]12C(C(=O)OC)=CO[C@H]([C@@H]1[C@](C)([C@H]([C@H]2O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O
Computed Properties
- Exact Mass: 454.13225550g/mol
- Monoisotopic Mass: 454.13225550g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 13
- Heavy Atom Count: 30
- Rotatable Bond Count: 5
- Complexity: 699
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 11
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 216
- XLogP3: -5.2
Phlomiol Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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
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