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Year of first isolation: |
2026 |
| Formula: | C28H44O7 |
| Molecular weight: | 492 |
| 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@H](O)[C@]4([H])[C@@H](C)[C@@]5([H])[C@@H](O)[C@H](C)[C@@H](C)CO5)=O)([H])C[C@@H](O)[C@@H](O)C1 » 
| | IUPAC Name | (2S,3R,5R,10R,13R,14S,16S,17R)-2,3,14,16-tetrahydroxy-17-((R)-1-((2S,3S,4R,5R)-3-hydroxy-4,5-dimethyltetrahydro-2H-pyran-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 ] | WPSOMPINROORTQ-JJZDNPPDSA-N | | InChI | InChI=1S/C28H44O7/c1-13-12-35-25(24(33)14(13)2)15(3)23-22(32)11-28(34)17-8-19(29)18-9-20(30)21(31)10-26(18,4)16(17)6-7-27(23,28)5/h8,13-16,18,20-25,30-34H,6-7,9-12H2,1-5H3/t13-,14+,15+,16?,18-,20+,21-,22-,23-,24-,25-,26+,27+,28+/m0/s1 |
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| HR-ESI-MS (positive ion mode) m/z | 493.3173 [M+H]+, calculated 493.3165 for C28H45O7 |
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| C5D5N | | 01 | 37.8 | | 02 | 68.0 | | 03 | 67.9 | | 04 | 32.4 | | 05 | 51.3 | | 06 | 203.5 | | 07 | 121.5 | | 08 | 165.5 | | 09 | 34.2 | | 10 | 38.5 | | 11 | 20.9 | | 12 | 31.5 | | 13 | 47.9 | | 14 | 83.4 | | 15 | 43.7 | | 16 | 72.4 | | 17 | 53.2 | | 18 | 16.6 | | 19 | 24.4 | | 20 | 34.5 | | 21 | 16.4 | | 22 | 78.5 | | 23 | 87.2 | | 24 | 44.1 | | 25 | 43.0 | | 26 | 74.4 | | 27 | 15.2 | | 28 | 17.6 |
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| C5D5N | | 01-Ha | 1.93 (o) | | 01-Hb | 2.14 (dd, 4.4, 13.3) | | 02-Ha | 4.15 (dt, 3.8, 11.7) | | 03-He | 4.23 (o) | | 04-Ha | 1.76 (m) | | 04-Hb | 2.04 (dt, 3.4, 13.7) | | 05-H | 3.03 (dd, 3.4, 13.3) | | 07-H | 6.35 (br, s) | | 09-H | 3.58 (m) | | 11-Ha | 1.69 (m) | | 11-He | 1.84 (m) | | 12-Ha | 1.93 (o) | | 12-He | 2.60 (td, 4.4, 12.9) | | 15-Ha | 2.47 (dd, 5.5, 13.4) | | 15-Hb | 2.71 (dd, 7.9, 13.4) | | 16-H | 5.25 (dd, 7.2, 13.4) | | 17-H | 2.98 (dd, 7.1, 11.0) | | 18-Me | 1.21 (o) | | 19-Me | 1.09 (s) | | 20-H | 2.80 (m) | | 21-Me | 1,34 (d, 4.6) | | 22-H | 4.23 (o) | | 23-H | 4.01 (dd, 5.7, 7.8) | | 24-H | 1.99 (dd, 8.6, 15.4) | | 25-H | 1.73 (m) | | 26-Ha | 3.42 (t, 8.9) | | 26-Hb | 3.93 (t, 8.9) | | 27-Me | 0.87 (d, 6.5) | | 28-Me | 1.22 (o) |
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| M.P. | — °C | | [α]D20 | +28 ° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3405, 2835, 2041, 1648, 1032, 474 | | UV (MeOH) λ max (log ε) | 243.8 (0.20) |
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Permanent link to this datasheet: POLUMROID I
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