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Year of first isolation: |
2008 |
| Formula: | C28H46O7 |
| Molecular weight: | 494 |
| 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)(C1C(CC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)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(C[C@@H]([C@@H]2[C@](C)([C@@H](CC(C(C)C)C)O)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(C[C@@H]([C@@H]2[C@](C)([C@@H](C[C@H](C(C)C)C)O)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(C[C@@H]([C@@H]2[C@](C)([C@@H](C[C@@H](C(C)C)C)O)O)O)O)C)C »
| | IUPAC Name | (2S,3R,5R,9R,10R,13R,14S,16S,17R)-17-[(2R,3R)-2,3-dihydroxy-5,6-dimethylheptan-2-yl]-2,3,14,16-tetrahydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one | | CAS-RN | | | PubChem CID | 44449996 | InChiKey
[ ChemIDPlus: search ] | RVRAYMBCPTYQKZ-UFOPSCFWSA-N | | InChI | InChI=1S/C28H46O7/c1-14(2)15(3)9-23(33)27(6,34)24-22(32)13-28(35)17-10-19(29)18-11-20(30)21(31)12-25(18,4)16(17)7-8-26(24,28)5/h10,14-16,18,20-24,30-35H,7-9,11-13H2,1-6H3/t15?,16-,18-,20+,21-,22-,23+,24-,25+,26+,27-,28+/m0/s1 |
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| EI-MS m/z (relative intensity %) | | | FAB-MS m/z | 495 [M+H]+ | | HRFAB-MS | 495.33269 (calculated for C28H47O7 495.33218 |
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| CD3OD | | 01 | 37.3 | | 02 | 68.7 | | 03 | 68.5 | | 04 | 32.8 | | 05 | 51.8 | | 06 | 206.3 | | 07 | 122.0 | | 08 | 167.0 | | 09 | 34.9 | | 10 | 39.2 | | 11 | 21.4 | | 12 | 32.4 | | 13 | 49.0 | | 14 | 83.1 | | 15 | 44.9 | | 16 | 73.5 | | 17 | 51.4 | | 18 | 18.9 | | 19 | 24.4 | | 20 | 80.9 | | 21 | 20.4 | | 22 | 74.9 | | 23 | 38.0 | | 24 | 36.9 | | 25 | 30.4 | | 26 | 16.3 | | 27 | 15.7 | | 28 | 21.6 |
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| CD3OD | | 01-H | 1.77 (ddd, 13.2, 4.3), 1.42 (t, 13.2) | | 02-Ha | 3.82 (dt, 11.3, 4.0) | | 03-He | 3.94 (brs, w1/2=6) | | 04-H | 1.70 (m) | | 05-H | 2.38 (dd, 12.4, 5.0) | | 07-H | 5.79 (d, 2.4) | | 09-H | 3.16 (m) | | 11-H | 1.80 (m), 1.72 (m) | | 12-H | 2.12 (m), 1.93 (m) | | 15-H | 2.25 (dd, 13.6, 7.6), 2.05 (dd, 13.6, 4.8) | | 16-H | 4.65 (m) | | 17-H | 2.43 (d, 7.6) | | 18-Me | 1.13 (s) | | 19-Me | 0.98 (s) | | 21-Me | 1.17(s) | | 22-H | 4.02 (dd, 10.3, 1.4) | | 23-H | 1.53 (m) | | 24-H | 1.74 (m) | | 25-H | 1.85 (m) | | 26-Me | 0.80 (d, 6.9) | | 27-Me | 0.86 (d, 6.8) | | 28-Me | 0.94 (d, 6.9) |
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| M.P. | °C ; | | [α]D25 | 20.5 ° (c 0.10; MeOH) | | IR (KBr) ν max (cm-1) | 3398, 2959, 2872, 1645, 1621, 1561, 1415, 1382, 1057 | | UV (EtOH) λ max (log ε) | 243 (0.6) |
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Permanent link to this datasheet: POLYPOROID C
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