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Year of first isolation: |
1980 |
Formula: | C27H44O7 |
Molecular weight: | 480 |
Occurence in plants: |
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Occurence in animals: |
Manduca sexta [Lepidoptera] » Pieris brassicae [Lepidoptera] »
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Canonical SMILES | | Isomeric SMILES [ PubChem: search | XML ] [ ChemSpider: search ] | C1[C@]2([C@@H](C[C@@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@H](C)[C@@H](CCC(CO)(C)O)O)O)C)C » C1[C@]2([C@@H](C[C@@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@H](C)[C@@H](CCC(CO)(C)O)O)O)C)C » C1[C@]2([C@@H](C[C@@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@H](C)[C@@H](CCC(CO)(C)O)O)O)C)C »
| IUPAC Name | (2S,3S,5R,9R,10R,13R,14S,17R)-2,3,14-trihydroxy-10,13-dimethyl-17-((2S,3R)-3,6,7-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one | CAS-RN | | PubChem CID | | InChiKey [ ChemIDPlus: search ] | CHEZKCVMQIAGLX-WKPISVSFSA-N | InChI | InChI=1S/C27H44O7/c1-15(20(29)7-8-24(2,33)14-28)16-6-10-27(34)18-11-21(30)19-12-22(31)23(32)13-25(19,3)17(18)5-9-26(16,27)4/h11,15-17,19-20,22-23,28-29,31-34H,5-10,12-14H2,1-4H3/t15-,16+,17-,19-,20+,22-,23-,24?,25+,26+,27+/m0/s1 |
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CI-MS (NH3) m/z | | EI-MS m/z (relative intensity %) | "as for 26-hydroxyecdysone" | 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 | |
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CD3OD | 01-Ha | | 01-He | | 02-Ha | | 03-Ha | "as for 26-hydroxyecdysone" | 04-Ha | | 04-He | | 05-H | | 07-H | | 11-Ha | | 11-He | | 12-Ha | | 12-He | | 15-Ha | | 15-Hb | | 16-Ha | | 16-Hb | | 17-H | | 18-Me | | 19-Me | | 20-H | | 21-Me | | 22-H | | 23-Ha | | 23-Hb | | 24-Ha | | 24-Hb | | 26-CH2-O- | | 27-Me | |
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M.P. | | [α]D20 | | IR (KBr) ν max (cm-1) | 3420 (OH), 1710 (CO), 1660 (cyclohexenone) ; | UV (EtOH) λ max (log ε) | |
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Permanent link to this datasheet: 3-EPI-26-HYDROXYECDYSONE
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