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Year of first isolation: |
2026 |
| Formula: | C28H42O5 |
| Molecular weight: | 458 |
| Occurence in plants: |
Polyporus umbellatus [Fungi] »  ![Wikipedia: Polyporus umbellatus [Fungi]](/images/wikipedia.png)
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| Occurence in animals: |
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Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C[C@@]12[C@@](C(C=C3C2CC[C@@]4(C)[C@]3(O)C(C[C@]4([H])[C@@H](/C=C/[C@](O)(C)C(C)C)C)=O)=O)([H])C[C@@H](O)CC1 » 
| | IUPAC Name | (3S,5R,10R,13R,14R,17R)-3,14-dihydroxy-17-((2R,5S,E)-5-hydroxy-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-2,3,4,5,9,10,11,12,13,14,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-6,15-dione | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | YDQOCZUESSSURQ-VMJSWACLSA-N | | InChI | InChI=1S/C28H42O5/c1-16(2)27(6,32)12-7-17(3)20-15-24(31)28(33)21-14-23(30)22-13-18(29)8-10-25(22,4)19(21)9-11-26(20,28)5/h7,12,14,16-20,22,29,32-33H,8-11,13,15H2,1-6H3/b12-7+/t17-,18+,19?,20-,22+,25-,26-,27-,28-/m1/s1 |
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| HR-ESI-MS (positive ion mode) m/z | 459.3100 [M+H]+, calculated 459.3110 for C28H43O5 |
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| C5D5N | | 01 | 34.1 | | 02 | 31.4 | | 03 | 68.7 | | 04 | 35.3 | | 05 | 56.6 | | 06 | 201.8 | | 07 | 124.0 | | 08 | 158.9 | | 09 | 34.2 | | 10 | 36.3 | | 11 | 20.8 | | 12 | 29.8 | | 13 | 45.7 | | 14 | 78.2 | | 15 | 211.9 | | 16 | 41.2 | | 17 | 44.9 | | 18 | 14.0 | | 19 | 23.8 | | 20 | 39.7 | | 21 | 21.5 | | 22 | 133.3 | | 23 | 136.0 | | 24 | 73.8 | | 25 | 38.7 | | 26 | 17.7 | | 27 | 18.1 | | 28 | 25.6 |
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| C5D5N | | 01-Ha | 1.83 (o) | | 01-Hb | 1.85 (o) | | 02-Ha | 1.87 (o) | | 02-Hb | 2.01 (m) | | 03-He | 3.81 (m) | | 04-Ha | 1.63 (ù) | | 04-Hb | 1.91 (m) | | 05-H | 2.28 (dd, 3.8, 13.0) | | 07-H | 7.44 (br, s) | | 09-H | 3.63 (m) | | 11-Ha | 1.61 (o) | | 11-Hb | 1.77 (m) | | 12-Ha | 1.92 (m) | | 12-Hb | 2.58 (o) | | 16-Ha | 2.15 (dd, 9.1, 19.2) | | 16-Hb | 2.80 (dd, 8.7, 19.2) | | 17-H | 2.54 (o) | | 18-Me | 0.84 (s) | | 19-Me | 0.99 (s) | | 20-H | 2.26 (o) | | 21-Me | 1.16 (d, 6.6) | | 22-H | 5.75 (o) | | 23-H | 5.73 (o) | | 25-H | 1.92 (o) | | 26-Me | 1.10 (d, 7.1) | | 27-Me | 1.08 (d, 7.1) | | 28-Me | 1.42 (s) |
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| M.P. | — °C | | [α]D20 | +23 ° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3455, 2973, 2076, 1639, 1054, 443 | | UV (MeOH) λ max (log ε) | 240.3 (0.35) |
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Permanent link to this datasheet: POLUMROID A
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