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Year of first isolation: |
2008 |
| Formula: | C28H44O7 |
| Molecular weight: | 492 |
| 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 | CC1COC(C1C)C(C(C)(C2CCC3(C2(CCC4C3=CC(=O)C5C4(CC(C(C5)O)O)C)C)O)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@@](C)(O)[C@@H]([C@H]1[C@H]([C@@H](CO1)C)C)O)O)C)C » 
| | IUPAC Name | (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(1R,2R)-1-[(2R,3S,4S)-3,4-dimethyloxolan-2-yl]-1,2-dihydroxypropan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one | | CAS-RN | | | PubChem CID | 44450001 | InChiKey
[ ChemIDPlus: search ] | HHPPCGSBRMCORM-QTSUHJLRSA-N | | InChI | InChI=1S/C28H44O7/c1-14-13-35-23(15(14)2)24(32)27(5,33)22-7-9-28(34)17-10-19(29)18-11-20(30)21(31)12-25(18,3)16(17)6-8-26(22,28)4/h10,14-16,18,20-24,30-34H,6-9,11-13H2,1-5H3/t14-,15+,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-,28-/m1/s1 |
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| EI-MS m/z (relative intensity %) | | | FAB-MS m/z | 493 [M+H]+ | | HRFAB-MS | 493.31668 (calculated for C28H45O7 493.31653 |
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| CD3OD | | 01 | 37.4 | | 02 | 68.7 | | 03 | 68.5 | | 04 | 32.9 | | 05 | 51.8 | | 06 | 206.6 | | 07 | 121.9 | | 08 | 168.5 | | 09 | 35.1 | | 10 | 39.2 | | 11 | 21.5 | | 12 | 32.3 | | 13 | 49.0 | | 14 | 85.2 | | 15 | 31.8 | | 16 | 22.1 | | 17 | 50.2 | | 18 | 18.4 | | 19 | 24.4 | | 20 | 78.2 | | 21 | 23.2 | | 22 | 80.2 | | 23 | 87.8 | | 24 | 47.9 | | 25 | 43.7 | | 26 | 75.4 | | 27 | 15.5 | | 28 | 18.2 |
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| CD3OD | | 01-H | 1.77 (m), 1.42 (t, 13.4) | | 02-Ha | 3.81 (dt, 11.3, 3.6) | | 03-He | 3.94 (brs, w1/2=8) | | 04-H | 1.72 (m) | | 05-H | 2.37 (dd, 12.7, 4.4) | | 07-H | 5.80 (d, 2.4) | | 09-H | 3.15 (m) | | 11-H | 1.80 (m), 1.68 (m) | | 12-H | 2.12 (m), 1.88 (m) | | 15-H | 1.96 (m), 1.59 (m) | | 16-H | 1.88 (m), 1.68 (m) | | 17-H | 2.78 (t, 8.0) | | 18-Me | 1.18 (s) | | 19-Me | 0.99 (s) | | 21-Me | 1.43 (s) | | 22-H | 3.32 (d, 5.1) | | 23-H | 3.52 (t, 5.1) | | 24-H | 1.70 (m) | | 25-H | 1.75 (m) | | 26-CH2O | 3.89 (t, 7.9), 3.35 (t, 7.6) | | 27-Me | 1.02 (d, 6.5) | | 28-Me | 1.14 (d, 6.2) |
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| M.P. | °C ; | | [α]D25 | 24.0 ° (c 0.10; MeOH) | | IR (KBr) ν max (cm-1) | 3400, 2960, 2870, 1648, 1620, 1565, 1418, 1385, 1062 | | UV (EtOH) λ max (log ε) | 241 (1.6) |
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Permanent link to this datasheet: POLYPOROID B
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