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Year of first isolation: |
1986 |
| Formula: | C33H54O10 |
| Molecular weight: | 610 |
| Occurence in plants: |
Blechnum minus [Blechnaceae] »  ![Wikipedia: Blechnum minus [Blechnaceae]](/images/wikipedia.png)
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| Occurence in animals: |
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| Canonical SMILES | CC(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CCC(C4)O)C)C)O)C(CCC(C)(C)OC5C(C(C(C(O5)CO)O)O)O)O | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C1[C@]2([C@@H](C[C@H](C1)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[C@H]1OC([C@@H](C(C1O)O)O)CO)O)O)C)C » 
| | IUPAC Name | (3S,5R,10R,13R,14S)-3,14-dihydroxy-17-[(2S,3R)-3-hydroxy-6-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one | | CAS-RN | | | PubChem CID | 44231823 | InChiKey
[ ChemIDPlus: search ] | OVBHAHZBRSIVHE-GBUHTVPMSA-N | | InChI | InChI=1S/C33H54O10/c1-17(23(36)9-10-30(2,3)43-29-28(40)27(39)26(38)25(16-34)42-29)19-8-13-33(41)21-15-24(37)22-14-18(35)6-11-31(22,4)20(21)7-12-32(19,33)5/h15,17-20,22-23,25-29,34-36,38-41H,6-14,16H2,1-5H3/t17-,18-,19?,20?,22-,23+,25+,26+,27-,28+,29-,31+,32+,33+/m0/s1 |
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| DEI m/z (relative intenzity %) | DCI-MS gives ions at m/z 593 [M+1-H2O] (0.19%); 431 [M+1-glucose] (10%) | | EI-MS m/z (relative intensity %) | | | HR-MS | |
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| C5D5N | | 01 | 33.2 | | 02 | 29.1 * | | 03 | 64.1 | | 04 | 29.5 * | | 05 | 51.7 | | 06 | 203.3 | | 07 | 121.4 | | 08 | 166.0 | | 09 | 34.6 | | 10 | 37.0 | | 11 | 21.5 | | 12 | 31.7 | | 13 | 48.1 | | 14 | 84.1 | | 15 | 31.7 | | 16 | 26.7 | | 17 | 48.3 | | 18 | 15.8 | | 19 | 24.4 | | 20 | 43.2 | | 21 | 13.6 | | 22 | 73.9 | | 23 | 24.7 | | 24 | 39.6 | | 25 | 77.4 | | 26 | 27.4 | | 27 | 27.6 | | glu-1 | 98.8 | | glu-2 | 75.4 | | glu-3 | 78.6 | | glu-4 | 72.1 | | glu-5 | 78.6 | | glu-6 | 63.4 |
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| C5D5N | | 01-Ha | | | 02-Ha | | | 02-He | | | 03-He | | | 04-Ha | | | 04-He | | | 05-H | 2.95 | | 07-H | 6.17 (d, 1) | | 09-Ha | 3.46 | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | | | 18-Me | 0.70 (s ) | | 19-Me | 1.05 (s ) | | 21-Me | 1.25 (d, 6.5) | | 22-Hb | 4.10 | | 23-Ha | | | 24-Ha | | | 24-Hb | | | 26-Me | 1.29 (s ) | | 27-Me | 1.39 (s ) | | glu sign.: | | | glu- 1H | 5.02 (d, 7.5) | | glu-(2-6)H | 3.9 - 4.6 |
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| M.P. | | | [α]D20 | | | IR (KBr) ν max (cm-1) | ~ 3440 (OH), 1660 (CO) | | UV (EtOH) λ max (log ε) | 243 (4.03) |
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| HPTLC | | | TLC | | | GLC | | | HPLC | NP-HPLC, column Spherisorb S GP (50 cm x 8 mm) solvent CHCl3-EtOH (88:12) |
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Permanent link to this datasheet: BLECHNOSIDE B
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