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Year of first isolation: |
1983 |
| Formula: | C29H47O11P |
| Molecular weight: | 602 |
| Occurence in plants: |
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| Occurence in animals: |
Locusta migratoria [Orthoptera] »  ![Wikipedia: Locusta migratoria [Orthoptera]](/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]1O)OC(=O)C)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)OP(=O)([O-])[O-])O)O)C)C » 
| | IUPAC Name | (2R,3R)-2-((2S,3R,5R,9R,10R,13R,14S,17S)-3-acetoxy-2,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2,6-dihydroxy-6-methylheptan-3-yl phosphate | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | VQZIEELVORGXOR-OQQOFWQASA-L | | InChI | InChI=1S/C29H47O11P/c1-16(30)39-22-14-19-20(31)13-18-17(26(19,4)15-21(22)32)7-11-27(5)23(8-12-29(18,27)35)28(6,34)24(40-41(36,37)38)9-10-25(2,3)33/h13,17,19,21-24,32-35H,7-12,14-15H2,1-6H3,(H2,36,37,38)/p-2/t17-,19-,21-,22+,23-,24+,26+,27+,28+,29+/m0/s1 |
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| EI-MS m/z (relative intensity %) | Direct inlet MS with fast-heating technique m/z: 607 (M-18+Na)+, 589, 571, 546 (M-18+Na -CH3COOH-H)+ | | HR-MS | |
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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 | | | 28 | | | 29 | |
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| CD3OD | | 01-Ha | | | 01-He | | | 02-Ha | | | 03-He | | | 04-Ha | | | 04-He | | | 05-H | | | 07-H | | | 09-Ha | | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | | | 18-Me | 0.92 | | 19-Me | 0.99 | | 21-Me | 1.32 | | 22-H | | | 23-Ha | | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 26-Me | 1.21 | | 27-Me | 1.22 | | OAc | 1.92 (s, 3H) |
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| M.P. | | | [α]D20 | | | IR (KBr) ν max (cm-1) | | | UV (EtOH) λ max (log ε) | |
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Permanent link to this datasheet: 20-HYDROXYECDYSONE 3(/2)-ACETATE 22-PHOSPHATE
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