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Year of first isolation: |
1994 |
| Formula: | C33H54O11 |
| Molecular weight: | 626 |
| 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 | CC(C1CCC2(C1(CCC3C2=CC(=O)C4(C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)O)C(CCC(C)(C)O)O | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C1[C@]2([C@@](C[C@H](C1)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@H](C)[C@@H](CCC(C)(C)O)O)O)C)O)C » 
| | IUPAC Name | (3S,5S,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-6-one | | CAS-RN | | | PubChem CID | 21626689 | InChiKey
[ ChemIDPlus: search ] | FKNRTOPVRYXTRX-GPAKJSBGSA-N | | InChI | InChI=1S/C33H54O11/c1-17(22(35)9-10-29(2,3)40)19-8-13-32(41)21-14-24(36)33(42)15-18(6-11-31(33,5)20(21)7-12-30(19,32)4)43-28-27(39)26(38)25(37)23(16-34)44-28/h14,17-20,22-23,25-28,34-35,37-42H,6-13,15-16H2,1-5H3/t17-,18-,19+,20-,22+,23+,25+,26-,27+,28+,30+,31+,32+,33+/m0/s1 |
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| CI-MS (NH3) m/z | | | EI-MS m/z (relative intensity %) | 608 (M-H2O)+ (0.4), 590 (3), 572 (3), 492 (2), 447 (23), 446 (23), 429 (98), 428 (100), 426 (24), 418 (26), 411 (50), 410 (98), 395 (16), 392 (17), 377 (42), 348 (56), 330 (26), 99 (57), 81 (55). | | HR-MS | |
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| C5D5N | | 01 | 25.5 | | 02 | 27.1 | | 03 | 71.5 * | | 04 | 32.4 | | 05 | 78.4 | | 06 | 202.2 | | 07 | 120.2 | | 08 | 166.4 | | 09 | 36.7 | | 10 | 42.8 | | 11 | 21.7 | | 12 | 31.4 | | 13 | 47.0 | | 14 | 83.7 | | 15 | 31.7 | | 16 | 26.5 | | 17 | 48.1 | | 18 | 15.7 | | 19 | 17.1 | | 20 | 42.8 | | 21 | 13.5 | | 22 | 73.9 | | 23 | 25.5 | | 24 | 42.3 | | 25 | 69.6 | | 26 | 30.0 | | 27 | 29.9 | | s1' | 101.3 | | s2' | 75.2 | | s3' | 78.3 | | s4' | 71.7 * | | s5' | 78.3 | | s6' | 62.6 |
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| C5D5N | | 01-Ha | | | 01-He | | | 02-Ha | | | 03-He | 4.1 | | 04-Ha | | | 04-He | | | 05-H | | | 07-H | 6.24 | | 09-H | 3.53 (m) | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | | | 18-Me | 0.74 (s) | | 19-Me | 1.14 (s) | | 20-H | | | 21-Me | 1.30 (d, 6.5) | | 22-H | | | 23-Ha | | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 26-Me | 1.40 (s) | | 27-Me | 1.40 (s) | | H-1' | 4.90 (d, 7.5) |
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| M.P. | | | [α]D20 | | | IR (KBr) ν max (cm-1) | 3300-3500 (OH), 1680 (cyclohexenone) | | UV (EtOH) λ max (log ε) | 243 (4.09) |
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Permanent link to this datasheet: SILENEOSIDE F
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