Cas no 139687-24-4 (CARYPTOSIDE)
CARYPTOSIDE structure
Product Name:CARYPTOSIDE
CAS No:139687-24-4
MF:C17H26O11
MW:406.38242404813
CID:902897
PubChem ID:24721560
Update Time:2024-03-01
CARYPTOSIDE Chemical and Physical Properties
Names and Identifiers
-
- CARYPTOSIDE
- caryoptoside
- (1S,4aS,6S,7R,7aS)-1-(beta-D-Glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester
- Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6,7-dihydroxy-7-methyl-, methyl ester, (1S,4aS,6S,7R,7aS)-
- (1S)-1alpha-(beta-D-Glucopyranosyloxy)-6alpha,7alpha-dihydroxy-7-methyl-1,4aalpha,5,6,7,7aalpha-hexahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester
- 139687-24-4
- methyl (1S,4aS,6S,7R,7aS)-6,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
-
- Inchi: 1S/C17H26O11/c1-17(24)9(19)3-6-7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8-13,15-16,18-22,24H,3-4H2,1-2H3/t6-,8-,9+,10-,11-,12+,13-,15+,16+,17+/m1/s1
- InChI Key: VIXATJMNFXMPDC-CCVCSVFYSA-N
- SMILES: O([C@@]1([H])[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)[C@@H]1OC=C(C(=O)OC)[C@@]2([H])C[C@H](O)[C@@](O)(C)[C@@]12[H]
Computed Properties
- Exact Mass: 406.14751164g/mol
- Monoisotopic Mass: 406.14751164g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 24
- Heavy Atom Count: 32
- Rotatable Bond Count: 0
- Complexity: 807
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 10.2
- Topological Polar Surface Area: 175?2
Experimental Properties
- Density: 1.58±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Soluble (350 g/l) (25 o C),
- PSA: 175.37000
- LogP: -3.03590
CARYPTOSIDE Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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