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Year of first isolation: |
2000 |
| Formula: | C27H45O8P |
| Molecular weight: | 528 |
| 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](C1)OP(=O)([O-])[O-])C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@H](C)C[C@@H](CC(C)(C)O)O)O)C)C » 
| | IUPAC Name | (3S,5R,9R,10R,13R,14S,17R)-17-((2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl)-14-hydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl phosphate | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | MBPDADAZJVRECC-SKYCAMSBSA-L | | InChI | InChI=1S/C27H45O8P/c1-16(12-17(28)15-24(2,3)30)19-8-11-27(31)21-14-23(29)22-13-18(35-36(32,33)34)6-9-25(22,4)20(21)7-10-26(19,27)5/h14,16-20,22,28,30-31H,6-13,15H2,1-5H3,(H2,32,33,34)/p-2/t16-,17+,18+,19-,20+,22+,25-,26-,27-/m1/s1 |
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| EI-MS m/z (relative intensity %) | | | FAB-MS m/z | 527 [M-H] - |
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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 | | | 02-He | | | 03-He | 4.49 (m, w1/2 = 16) | | 04-Ha | | | 04-He | | | 05-H | 2.49 (dd, 12.9, 3.9) | | 07-H | 5.79 (d, 2.0) | | 09-H | | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | | | 18-Me | 0.722 (s) | | 19-Me | 0.936 (s) | | 20-H | | | 21-Me | 0.996 (d, 5.9) | | 22-Ha | | | 23-H | 4.03 (m) | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 25-H | | | 26-Me | 1.275 (s) | | 27-Me | 1.236 (s) |
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Permanent link to this datasheet: 2,22-DIDEOXY-23-HYDROXYECDYSONE 3-PHOSPHATE
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