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Year of first isolation: |
1971 |
| Formula: | C45H74O17 |
| Molecular weight: | 886 |
| Occurence in plants: |
Polypodium vulgare [Polypodiaceae] »  ![Wikipedia: Polypodium vulgare [Polypodiaceae]](/images/wikipedia.png)
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| Canonical SMILES | CC1CCC(OC1OC2C(C(C(C(O2)C)O)O)O)C(C)C3CCC4C3(CCC5C4CC(=O)C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C1[C@]4([C@H](C[C@H](C1)O[C@H]2C(C([C@@H](C(O2)CO)O)O)O[C@H]3C(C([C@H](C(O3)C)O)O)O)C(=O)C[C@@H]5[C@@H]4CC[C@]6([C@H]5CC[C@@H]6[C@H](C)[C@H]7CC[C@@H]([C@H](O7)O[C@H]8C(C([C@H](C(C8)C)O)O)O)C)C)C » 
| | IUPAC Name | (3S,5S,8S,9S,10R,13S,14S)-3-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-[(1S)-1-[(5R,6R)-5-methyl-6-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]ethyl]-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one | | CAS-RN | 33650-66-7 | | PubChem CID | 441890 | InChiKey
[ ChemIDPlus: search ] | QZOALWMSYRBZSA-XSAMIUIESA-N | | InChI | InChI=1S/C45H74O17/c1-18-7-10-29(59-40(18)62-42-38(55)35(52)32(49)21(4)57-42)19(2)24-8-9-25-23-16-28(47)27-15-22(11-13-45(27,6)26(23)12-14-44(24,25)5)58-43-39(36(53)33(50)30(17-46)60-43)61-41-37(54)34(51)31(48)20(3)56-41/h18-27,29-43,46,48-55H,7-17H2,1-6H3/t18-,19+,20+,21+,22+,23+,24?,25+,26+,27-,29?,30-,31+,32+,33-,34-,35-,36+,37-,38-,39-,40-,41+,42+,43-,44-,45-/m1/s1 |
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| CI-MS (NH3) m/z | | | EI-MS m/z (relative intensity %), data for the aglycone | 432 (M)+ (1.8), 416 (M-18)+ (61), 345 (26), 317 (63), 299 (38), 287 (84), 126 (77), 115 (56), 97 (100) | | HR-FAB-MS | 909 (M+Na) |
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| C5D5N | | 01 | 36.8 | | 02 | 29.4 | | 03 | 76.2 | | 04 | 26.5 | | 05 | 56.3 | | 06 | 209.6 | | 07 | 46.8 | | 08 | 36.5 | | 09 | 53.8 | | 10 | 40.9 | | 11 | 27.3 | | 12 | 39.7 | | 13 | 43.2 | | 14 | 56.4 | | 15 | 24.1 | | 16 | 21.6 | | 17 | 52.8 | | 18 | 13.1 | | 19 | 11.9 | | 20 | 40.1 | | 21 | 13.7 | | 22 | 78.3 | | 23 | 23.9 | | 24 | 31.5 | | 25 | 37.8 | | 26 | 107.3 | | 27 | 16.7 | | 2x[rha]1 | 102.1 / 101.9 | | 2x[rha]2 | 72.5 / 72.2 | | 2x[rha]3 | 72.8 / 72.8 | | 2x[rha]4 | 74.1 / 74.0 | | 2x[rha]5 | 69.5 / 70.7 | | 2x[rha]6 | 18.7 / 18.4 | | [glu]1 | 99.6 | | [glu]2 | 78.2 | | [glu]3 | 79.5 | | [glu]4 | 72.0 | | [glu]5 | 78.3 | | [glu]6 | 62.8 |
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| C5D5N | | 01-He | 1.02 / 1.59 | | 02-Ha | 2.09 / 1.80 | | 03-He | 4.0 | | 04-Ha | 2.49 | | 04-He | 1.94 | | 05-H | 2.01 | | 07-H | 2.00 / 2.37 | | 09-Ha | 1.10 | | 11-Ha | 1.57 | | 11-He | 1.20 | | 12-Ha | 1.89 | | 12-He | 1.08 | | 15-Ha | 0.94 | | 15-Hb | 1.41 | | 16-Ha | 1.20 | | 16-Hb | 1.46 | | 17-H | 1.10 | | 18-Me | 0.78 | | 19-Me | 0.56 | | 20-H | 1.87 | | 21-Me | 1.03 | | 22-H | 3.46 | | 23-Ha | 1.32 | | 23-Hb | 1.32 | | 24-Ha | 1.76 | | 24-Hb | 1.13 | | 26-Me | 4.48 | | 27-Me | 0.92 | | 2x[rha]1 | 6.36 / 5.67 | | 2x[rha]2 | 4.80 / 4.63 | | 2x[rha]3 | 4.66 / 4.56 | | 2x[rha]4 | 4.35 / 4.32 | | 2x[rha]5 | 4.98 / 4.67 | | 2x[rha]6 | 1.80 / 1.71 | | [glu]1 | 5.08 | | [glu]2 | 4.27 | | [glu]3 | 4.27 | | [glu]4 | 4.14 | | [glu]5 | 3.92 | | [glu]6 | 4.36 / 4.57 |
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| M.P. | 198-199 °C | | [α]D20 | -36.2° (c 2.0 , EtOH) | | IR (Nujol) ν max (cm-1) | 3400 (OH), 1704 (CO) | | UV (EtOH) λ max (log ε) | |
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Permanent link to this datasheet: OSLADIN
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