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Year of first isolation: |
2026 |
| Formula: | C28H42O4 |
| Molecular weight: | 442 |
| 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@@H]3C(C4=C2[C@H](O)C[C@@]5(C)[C@]4([H])CC[C@]5([H])[C@@H](/C=C/[C@H](C)C(C)C)C)=O)(O3)C[C@@H](O)CC1 » 
| | IUPAC Name | (3S,4aR,5aR,6bS,9R,9aR,11R,11bR)-9-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-3,11-dihydroxy-9a,11b-dimethyl-1,2,3,4,6b,7,8,9,9a,10,11,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-6(5aH)-one | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | AKYRAZSAIRDRAF-YGEKAUJSSA-N | | InChI | InChI=1S/C28H42O4/c1-15(2)16(3)7-8-17(4)19-9-10-20-22-23(21(30)14-26(19,20)5)27(6)12-11-18(29)13-28(27)25(32-28)24(22)31/h7-8,15-21,25,29-30H,9-14H2,1-6H3/b8-7+/t16-,17+,18-,19+,20+,21+,25-,26+,27+,28-/m0/s1 |
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| HR-ESI-MS (positive ion mode) m/z | 443.3143 [M+H]+, calculated 443.3161 for C28H43O4 |
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| C5D5N | | 01 | 31.6 | | 02 | 32.4 | | 03 | 66.4 | | 04 | 41.4 | | 05 | 77.2 | | 06 | 81.0 | | 07 | 200.4 | | 08 | 135.5 | | 09 | 161.3 | | 10 | 44.2 | | 11 | 66.1 | | 12 | 49.8 | | 13 | 46.0 | | 14 | 47.5 | | 15 | 25.5 | | 16 | 29.4 | | 17 | 54.8 | | 18 | 13.4 | | 19 | 24.8 | | 20 | 40.6 | | 21 | 20.9 | | 22 | 135.7 | | 23 | 131.9 | | 24 | 42.8 | | 25 | 33.0 | | 26 | 19.7 | | 27 | 19.6 | | 28 | 17.5 |
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| C5D5N | | 01-Ha | 2.20 (o) | | 01-Hb | 3.34 (td, 3.1, 14.3) | | 02-Ha | 2.21 (o) | | 02-Hb | 2.40 (o) | | 03-He | 4.91 (o) | | 04-Ha | 2.45 (dd, 4.9, 13.4) | | 04-Hb | 3.05 (t, 13.4) | | 06-H | 4.43 (br, s) | | 11-H | 4.97 (o) | | 12-Ha | 2.10 (dd, 6.4, 13.7) | | 12-Hb | 2.74 (o) | | 14-H | 2.76 (o) | | 15-Ha | 1.84(o) | | 15-Hb | 2.69 (m) | | 16-Ha | 1.26 (m) | | 16-Hb | 1.75 (m) | | 17-H | 1.34 (m) | | 18-Me | 0.87 (s) | | 19-Me | 2.06 (s) | | 20-H | 2.04 (m) | | 21-Me | 0.92 (d, 6.5) | | 22-H | 5.17 (dd, 8.3, 15.2) | | 23-H | 5.23 (dd, 7.1, 15.2) | | 24-H | 1.86 (o) | | 25-H | 1.44 (m) | | 26-Me | 0.83 (d, 5.5) | | 27-Me | 0.84 (d, 5.5) | | 28-Me | 0.92 (d, 6.8) |
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| M.P. | — °C | | [α]D20 | +35 ° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3416, 2949, 2052, 1656, 1032, 475 | | UV (MeOH) λ max (log ε) | 242.7 (0.15) |
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Permanent link to this datasheet: POLUMROID J
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