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Year of first isolation: |
2026 |
| Formula: | C28H44O6 |
| Molecular weight: | 476 |
| 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)CC[C@]4([H])[C@@H]([C@H]5[C@H](O5)[C@H](CO)C(C)C)C)=O)([H])C[C@@H](O)[C@@H](O)C1 » 
| | IUPAC Name | (2S,3R,5R,10R,13R,14R,17R)-2,3,14-trihydroxy-17-((S)-1-((2S,3R)-3-((S)-1-hydroxy-3-methylbutan-2-yl)oxiran-2-yl)ethyl)-10,13-dimethyl-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | SFXMQBIWJVZRED-NCQXOHITSA-N | | InChI | InChI=1S/C28H44O6/c1-14(2)16(13-29)25-24(34-25)15(3)17-7-9-28(33)19-10-21(30)20-11-22(31)23(32)12-26(20,4)18(19)6-8-27(17,28)5/h10,14-18,20,22-25,29,31-33H,6-9,11-13H2,1-5H3/t15-,16+,17+,18?,20-,22+,23-,24-,25+,26+,27+,28-/m0/s1 |
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| HR-ESI-MS (positive ion mode) m/z | 477.3206 [M+H]+, calculated 477.3216 for C28H45O6 |
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| C5D5N | | 01 | 37.9 | | 02 | 68.0 | | 03 | 68.0 | | 04 | 32.5 | | 05 | 51.3 | | 06 | 203.4 | | 07 | 121.5 | | 08 | 165.5 | | 09 | 34.5 | | 10 | 38.6 | | 11 | 20.9 | | 12 | 31.2 | | 13 | 47.3 | | 14 | 83.6 | | 15 | 31.9 | | 16 | 25.9 | | 17 | 50.9 | | 18 | 15.8 | | 19 | 24.4 | | 20 | 39.0 | | 21 | 16.6 | | 22 | 64.9 | | 23 | 56.5 | | 24 | 50.7 | | 25 | 27.2 | | 26 | 20.2 | | 27 | 21.2 | | 28 | 61.1 |
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| C5D5N | | 01-Ha | 1.96 (m) | | 01-Hb | 2.15 (d, 4.3, 13.4) | | 02-Ha | 4.19 (dt, 3.7, 11.6) | | 03-He | 4.27 (br, s) | | 04-Ha | 1.87 (o) | | 04-Hb | 2.09 (dt, 3.5, 13.9) | | 05-H | 3.04 (dd, 3.3, 13.2) | | 07-H | 6.23 (br, s) | | 09-H | 3.59 (m) | | 11-Ha | 1.64 (dd, 3.2, 11.9) | | 11-Hb | 1.85 (o) | | 12-Ha | 1.74 (dd, 4.4, 12.9) | | 12-Hb | 2.52 (dd, 4.4, 12.9) | | 15-Ha | 1.89 (o) | | 15-Hb | 2,03 (o) | | 16-Ha | 2.02 (o) | | 16-Hb | 2.41 (m) | | 17-H | 2.60 (m) | | 18-Me | 0.71 (s) | | 19-Me | 1.09 (o) | | 20-H | 1.50 (m) | | 21-Me | 1.10 (o) | | 22-H | 2.82 (dd, 2.1, 7.1) | | 23-H | 2.96 (dd, 2.1, 8.3) | | 24-H | 1.26 (m) | | 25-H | 2.27 (m) | | 26-Me | 1.11 (o) | | 27-Me | 1.12 (o) | | 28-CH2 | 4.13 (dd, 3.0, 5.0) |
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| M.P. | — °C | | [α]D20 | +29 ° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3385, 2949, 2052, 1656, 1032, 475 | | UV (MeOH) λ max (log ε) | 243.8 (0.20) |
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Permanent link to this datasheet: POLUMROID F
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