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Year of first isolation: |
1992 |
Formula: | C28H44O5 |
Molecular weight: | 460 |
Occurence in plants: |
Polyporus umbellatus [Fungi] » ![Wikipedia: Polyporus umbellatus [Fungi]](/images/wikipedia.png)
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Occurence in animals: |
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Canonical SMILES | CC(C)C(=C)CC(C(C)C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O | 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](CC(=C)C(C)C)O)O)C)C » ![JSMol: View in 3D](/images/3D.png)
| IUPAC Name | (2S,3R,5R,9R,10R,13R,14S,17R)-2,3,14-trihydroxy-17-[(2S,3R)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one | CAS-RN | | PubChem CID | 44449940 | InChiKey [ ChemIDPlus: search ] | JUHSHQMSDLSJCS-ZYEVRCEJSA-N | InChI | InChI=1S/C28H44O5/c1-15(2)16(3)11-22(29)17(4)18-8-10-28(33)20-12-23(30)21-13-24(31)25(32)14-26(21,5)19(20)7-9-27(18,28)6/h12,15,17-19,21-22,24-25,29,31-33H,3,7-11,13-14H2,1-2,4-6H3/t17-,18+,19-,21-,22+,24+,25-,26+,27+,28+/m0/s1 |
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CI-MS (NH3) m/z | | EI-MS m/z (relative intensity %) | 460 [M]+, 432, 249 (base peak), 247 | HR-MS | |
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C5D5N | 01 | 38.1 | 02 | 68.2 | 03 | 68.2 | 04 | 32.6 | 05 | 51.5 | 06 | 203.7 | 07 | 121.7 | 08 | 165.7 | 09 | 34.7 | 10 | 38.8 | 11 | 21.3 | 12 | 26.9 | 13 | 48.4 | 14 | 83.9 | 15 | 32.1 | 16 | 31.6 | 17 | 47.7 | 18 | 16.0 | 19 | 24.6 | 20 | 43.0 | 21 | 13.6 | 22 | 71.7 | 23 | 36.5 | 24 | 154.9 | 25 | 33.9 | 26 | 22.3 | 27 | 22.1 | 28 | 108.7 |
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C5D5N | 01-Ha | | 01-Hb | | 02-Ha | 4.11 (br d, 10.5) | 03-He | 4.21 (br s ) | 04-Ha | | 04-He | | 05-H | | 07-H | 6.24 (d, 2.5) | 09-Ha | 3.57 (m ) | 11-Ha | | 11-He | | 12-Ha | | 12-He | | 15-Ha | | 15-Hb | | 16-Ha | | 16-Hb | | 17-H | | 18-Me | 0.72 (s ) | 19-Me | 1.09 (s ) | 21-Me | 1.28 (d, 6.9) | 22-H | 4.11 (m ) | 23-Ha | | 23-Hb | | 25-H | 2.48 (septed, 6.8) | 26-Me | 1.06 (d, 6.9) | 27-Me | 1.01 (d, 6.9) | 28-H | 5.11 (br s ) | 28-H' | 4.99 (br s ) |
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M.P. | 251 °C | [α]D20 | | IR (KBr) ν max (cm-1) | 3340 (OH), 1650 (C=O), 803 (C=CH2) | UV (EtOH) λ max (log ε) | 242 (4.02) |
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HPTLC | | TLC | | GLC | | HPLC | RP-HPLC, Column Inertsil ODS (20x250 mm), 40% CH3CN in water, flow-rate 10 ml.min-1 Ret. 10.5 min |
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Permanent link to this datasheet: POLYPORUSTERONE G
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