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Year of first isolation: |
1976 |
| Formula: | C28H44O7 |
| Molecular weight: | 492 |
| Occurence in plants: |
Sida cordifolia [Malvaceae] »  ![Wikipedia: Sida cordifolia [Malvaceae]](/images/wikipedia.png)
Sida rhombifolia [Malvaceae] »
Sida spinosa [Malvaceae] »
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| Occurence in animals: |
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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@](C)([C@H](O)C[C@H](C(=C)CO)C)O)O)C)C » 
| | IUPAC Name | (2S,3R,5R,9R,10R,13R,14S,17S)-17-((2R,3R,5R)-2,3-dihydroxy-6-(hydroxymethyl)-5-methylhept-6-en-2-yl)-2,3,14-trihydroxy-10,13-dimethyl-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 ] | YRAMRUGGFATRDU-UAKLZHGLSA-N | | InChI | InChI=1S/C28H44O7/c1-15(16(2)14-29)10-24(33)27(5,34)23-7-9-28(35)18-11-20(30)19-12-21(31)22(32)13-25(19,3)17(18)6-8-26(23,28)4/h11,15,17,19,21-24,29,31-35H,2,6-10,12-14H2,1,3-5H3/t15-,17+,19+,21-,22+,23+,24-,25-,26-,27-,28-/m1/s1 |
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| CI-MS (NH3) m/z | | | EI-MS m/z (relative intensity %) | 474 (M-18)+ | | 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 | |
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| CD3OD | | 01-Ha | | | 01-He | | | 02-Ha | | | 03-He | | | 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-Me | | | 27-Me | |
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| M.P. | 238-240 °C | | [α]D20 | + 67.8 ° (c ; dioxane) | | IR (KBr) ν max (cm-1) | 3500, 3410 (OH), 1662 (cyclohexenone), 1632, 890 | | UV (EtOH) λ max (log ε) | 243 (4.08) |
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Permanent link to this datasheet: SIDASTERONE A
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