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Year of first isolation: |
2000 |
| Formula: | C27H45O10P |
| Molecular weight: | 560 |
| Occurence in plants: |
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| Occurence in animals: |
Bombyx mori [Bombycidae] »  ![Wikipedia: Bombyx mori [Bombycidae]](/images/wikipedia.png)
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| Canonical SMILES | | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C1[C@]2([C@@H](C[C@@H]([C@H]1OP(=O)([O-])[O-])O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(C[C@@H]([C@@H]2[C@](C)(CCCC(C)(C)O)O)O)O)C)C » 
| | IUPAC Name | (2S,3S,5R,9R,10R,13R,14S,16S,17R)-17-((S)-2,6-dihydroxy-6-methylheptan-2-yl)-3,14,16-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl phosphate | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | DSCPOMHBCLQHAL-CAZXMIBQSA-L | | InChI | InChI=1S/C27H45O10P/c1-23(2,31)8-6-9-26(5,32)22-20(30)13-27(33)16-11-18(28)17-12-19(29)21(37-38(34,35)36)14-24(17,3)15(16)7-10-25(22,27)4/h11,15,17,19-22,29-33H,6-10,12-14H2,1-5H3,(H2,34,35,36)/p-2/t15-,17-,19-,20-,21-,22-,24+,25+,26-,27+/m0/s1 |
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| EI-MS m/z (relative intensity %) | | | FAB-MS m/z | 97 [H2PO4] -, 79 [PO3] - |
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| C5D5N | | 01 | | | 02 | | | 03 | | | 04 | | | 05 | | | 06 | | | 07 | | | 08 | | | 09 | | | 10 | | | 11 | | | 12 | | | 13 | | | 14 | | | 15 | | | 16 | | | 17 | | | 18 | | | 19 | | | 20 | | | 21 | | | 22 | | | 23 | | | 24 | | | 25 | | | 26 | | | 27 | |
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| CD3OD | | 01-Ha | | | 01-He | | | 02-Ha | 4.22 (m, w1/2 = 34) | | 03-Ha | 3.54 (m, w1/2 = 22) | | 04-Ha | | | 04-He | | | 05-H | 2.09 (dd, 14.3, 3.8) | | 07-H | 5.80 (d, 2.4) | | 09-H | overlap with solvent | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 15-Ha | | | 15-Hb | | | 16-Ha | overlap with solvent | | 17-H | | | 18-Me | 1.10 (s) | | 19-Me | 0.97 (s) | | 21-Me | 1.27 (s) | | 22-Ha | | | 23-Ha | | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 26-Me | 1.19 (s) | | 27-Me | 1.19 (s) |
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| M.P. | - °C ; | | [α]D20 | ? ° (c ; MeOH) | | IR (KBr) ν max (cm-1) | | | UV (MeOH) λ max (log ε) | 243 nm (-) ; |
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| HPLC | RP-HPLC column Wakosil 5C18, 250x10 mm, flow-rate 2 ml/min, solvent linear gradient of MeOH in 20 mM phosphate buffer, pH 5.56, changing from 1:9 to 7:3 in 70 min, Ret 49.0 min.RP-HPLC column Wakosil 5C18, 250x4.6 mm, flow-rate 1 ml/min, solvent 25 % aqueous MeOH, Ret 8.5 min. | | GLC | | | TLC | |
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Permanent link to this datasheet: 3-EPI-22-DEOXY-16β,20-DIHYDROXYECDYSONE 2-PHOSPHATE
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