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Year of first isolation: |
1998 |
| Formula: | C39H64O17 |
| Molecular weight: | 804 |
| Occurence in plants: |
Silene brahuica [Caryophyllaceae] »  ![Wikipedia: Silene brahuica [Caryophyllaceae]](/images/wikipedia.png)
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| Occurence in animals: |
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| Canonical SMILES | | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C1[C@]2([C@@](C[C@H]([C@H]1O)O[C@H]1C(C([C@H](C(O1)CO)O)O)O)(C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O[C@@H]1C(C([C@H](C(O1)CO)O)O)O)O)O)C)O)C » 
| | IUPAC Name | (2S,3R,5R,10R,13R,14S,17S)-17-((2R,3R)-2,6-dihydroxy-6-methyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)heptan-2-yl)-2,14-dihydroxy-10,13-dimethyl-3-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | DFOWOAPXMUUUGC-FGZXGESCSA-N | | InChI | InChI=1S/C39H64O18/c1-34(2,50)9-8-25(57-33-31(49)29(47)27(45)22(16-41)56-33)37(5,51)23-7-11-38(52)18-12-24(43)39(53)14-20(54-32-30(48)28(46)26(44)21(15-40)55-32)19(42)13-36(39,4)17(18)6-10-35(23,38)3/h12,17,19-23,25-33,40-42,44-53H,6-11,13-16H2,1-5H3/t17-,19-,20+,21?,22?,23-,25+,26-,27-,28?,29?,30?,31?,32+,33+,35+,36+,37+,38+,39+/m0/s1 |
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| CI-MS (NH3) m/z | | | EI-MS m/z (relative intensity %) | 588 (M+-162-3H2O) (2.5), 570 (2), 426 (38), 363 (35), 345 (40), 327 (41), 311 (35), 309 (38), 300 (35), 145 (50), 143 (52), 99 (100), 81 (97), 69 (98) | | HR-MS | |
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| C5D5N | | 01 | 39.36 | | 02 | 68.05 | | 03 | 79.72 | | 04 | 31.61 | | 05 | 51.41 | | 06 | 203.01 | | 07 | 121.46 | | 08 | 166.54 | | 09 | 34.22 | | 10 | 38.50 | | 11 | 21.01 | | 12 | 31.97 | | 13 | 48.05 | | 14 | 84.15 | | 15 | 31.72 | | 16 | 21.42 | | 17 | 49.85 | | 18 | 18.05 | | 19 | 24.24 | | 20 | 77.81 | | 21 | 22.28 | | 22 | 90.96 | | 23 | 27.11 | | 24 | 41.75 | | 25 | 69.72 | | 26 | 29.73 | | 27 | 29.73 | | gal-1' | 103.68 | | gal-2' | 70.93 | | gal-3' | 71.75 | | gal-4' | 71.15 | | gal-5' | 72.44 | | gal-6' | 62.59 | | Galactose (3-O-) | | | glu-1" | 104.04 | | glu-2" | 73.44 | | glu-3" | 79.10 | | glu-4" | 71.19 | | glu-5" | 78.30 | | glu-6" | 62.74 | | Glucose (22-O-) | |
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| C5D5N | | 01-Ha | | | 01-He | | | 02-Ha | 4.10 (m) | | 03-He | 4.10 (m) | | 04-Ha | | | 04-He | | | 05-H | 2.79 (dd, 13.4, 3.6) | | 07-H | 6.02 (s) | | 09-H | 3.50 (t, 7.9) | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | 2.96 (t, 8.5) | | 18-Me | 1.24 (s) | | 19-Me | 0.97 (s) | | 21-Me | 1.67 (s) | | 22-H | 3.78 (d, 9) | | 23-Ha | | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 26-Me | 1.40 (s)* | | 27-Me | 1.47 (s)* | | H-1" | 5.69 (d, 4.03) | | H-1' | 5.62 (d, 3.9) |
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| M.P. | 225-227 °C ; | | [α]D20 | + 121 ? 2 ° (c 0.10; MeOH) | | IR (KBr) ν max (cm-1) | 3372 (OH), 1653 (7-ene-6-one) | | UV (EtOH) λ max (log ε) | 245 (4.01) ; |
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Permanent link to this datasheet: SILENEOSIDE G
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