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Year of first isolation: |
2026 |
| Formula: | C30H50O4 |
| Molecular weight: | 474 |
| 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](OCC)C=C3[C@]2(O)CC[C@@]4(C)[C@]3([H])CC[C@]4([H])[C@@H](/C=C/[C@H](C)C(C)C)C)(O)C[C@@H](O)CC1 » 
| | IUPAC Name | (3S,5R,6R,9R,10R,13R,14S,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-6-ethoxy-10,13-dimethyl-1,3,4,6,10,11,12,13,14,15,16,17-dodecahydro-5H-cyclopenta[a]phenanthrene-3,5,9(2H)-triol | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | MILGLDUVYBUNHV-SDJXWHOUSA-N | | InChI | InChI=1S/C30H50O4/c1-8-34-26-17-25-24-12-11-23(21(5)10-9-20(4)19(2)3)27(24,6)15-16-29(25,32)28(7)14-13-22(31)18-30(26,28)33/h9-10,17,19-24,26,31-33H,8,11-16,18H2,1-7H3/b10-9+/t20-,21+,22-,23+,24+,26+,27+,28+,29+,30-/m0/s1 |
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| HR-ESI-MS (positive ion mode) m/z | 493.3871 [M+H2O+H]+, calculated 493.3893 for C30H53O5 |
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| C5D5N | | 01 | 27.7 | | 02 | 32.1 | | 03 | 67.0 | | 04 | 41.4 | | 05 | 74.8 | | 06 | 81.4 | | 07 | 117.8 | | 08 | 143.7 | | 09 | 78.1 | | 10 | 40.9 | | 11 | 28.7 | | 12 | 35.6 | | 13 | 44.0 | | 14 | 51.1 | | 15 | 23.2 | | 16 | 28.3 | | 17 | 55.9 | | 18 | 11.9 | | 19 | 22.0 | | 20 | 40.6 | | 21 | 21.1 | | 22 | 135.9 | | 23 | 131.9 | | 24 | 42.9 | | 25 | 33.1 | | 26 | 19.6 | | 27 | 19.9 | | 28 | 17.6 | | 29 | 66.0 | | 30 | 15.8 |
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| C5D5N | | 01-Ha | 1.61 (m) | | 01-Hb | 2.78 (m) | | 02-Ha | 2.00 (m) | | 02-Hb | 2.30 (m) | | 03-He | 4.75 (m) | | 04-Ha | 2.36 (m) | | 04-Hb | 2.82 (dd, 3.8, 13.8) | | 06-H | 3.81 (dd, 2.2, 5.0) | | 07-H | 5.72 (dd, 2.5, 5.0) | | 11-Ha | 1.90 (m) | | 11-Hb | 1.98 (o) | | 12-Ha | 1.89 (o) | | 12-He | 1.96 (o) | | 14-H | 2.92 (m) | | 15-Ha | 1.59 (m) | | 15-Hb | 1.63 (m) | | 16-Ha | 1.38 (o) | | 16-Hb | 1.79 (m) | | 17-H | 1.35 (o) | | 18-Me | 0.68 (s) | | 19-Me | 1.37 (s) | | 20-H | 2.03 (d, 7.9) | | 21-Me | 1.05 (d, 6.6) | | 22-H | 5.21 (dd, 8.0 15.3) | | 23-H | 5.23 (dd, 7.5, 15.3) | | 24-H | 1.86 (m) | | 25-H | 1.45 (m) | | 26-Me | 0.84 (d, 5.2) | | 27-Me | 0.85 (d, 5.2) | | 28-Me | 0.94 (d, 6.8) | | 29-Ha | 3.50 (dd, 7.0, 9.2) | | 29-Hb | 3.71 (dd, 7.0, 9.2) | | 30-Me | 1.10 (t, 7.0) |
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| M.P. | — °C | | [α]D20 | +26 ° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3471, 2981, 2031, 1639, 1054, 483 | | UV (MeOH) λ max (log ε) | |
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Permanent link to this datasheet: POLUMROID L
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