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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)CC[C@]4([H])[C@]5(C)[C@H](O)C[C@@](C(C)C)(CO)O5)=O)([H])C[C@@H](O)[C@@H](O)C1 » 
| | IUPAC Name | (2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-17-((2R,3R,5R)-3-hydroxy-5-(hydroxymethyl)-5-isopropyl-2-methyltetrahydrofuran-2-yl)-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 ] | ZBPSUJMYCGXWPF-BLKSLNJGSA-N | | InChI | InChI=1S/C28H44O7/c1-15(2)27(14-29)13-23(33)26(5,35-27)22-7-9-28(34)17-10-19(30)18-11-20(31)21(32)12-24(18,3)16(17)6-8-25(22,28)4/h10,15-16,18,20-23,29,31-34H,6-9,11-14H2,1-5H3/t16?,18-,20+,21-,22-,23+,24+,25+,26+,27-,28+/m0/s1 |
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| HR-ESI-MS (positive ion mode) m/z | 493.3166 [M+H]+, calculated 493.3165 for C28H45O7 |
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| C5D5N | | 01 | 37.8 | | 02 | 67.9 | | 03 | 67.9 | | 04 | 31.7 | | 05 | 51.2 | | 06 | 203.5 | | 07 | 121.4 | | 08 | 166.3 | | 09 | 34.2 | | 10 | 38.4 | | 11 | 20.9 | | 12 | 31.9 | | 13 | 47.8 | | 14 | 83.6 | | 15 | 32.3 | | 16 | 229 | | 17 | 51.4 | | 18 | 17.7 | | 19 | 24.2 | | 20 | 88.9 | | 21 | 27.0 | | 22 | 81.5 | | 23 | 41.2 | | 24 | 88.5 | | 25 | 39.3 | | 26 | 18.3 | | 27 | 17.8 | | 28 | 63.4 |
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| C5D5N | | 01-Ha | 1.96 (o) | | 01-Hb | 2.17 (dd, 4.3, 13.3) | | 02-Ha | 4.19 (dt, 3.9, 11.8) | | 03-He | 4.28 (br, s) | | 04-Ha | 1.96 (o) | | 04-Hb | 2.64 (o) | | 05-H | 3.05 (dd, 3.4, 13.1) | | 07-H | 6.26 (br, s) | | 09-H | 3.61 (m) | | 11-Ha | 1.72 (ddd, 4.8, 13.4, 25.4) | | 11-He | 1.88 (o) | | 12-Hb | 2.05 (m) | | 15-Ha | 1.88 (o) | | 15-Hb | 2.11 (dt, 3.7, 13.8) | | 16-Ha | 2.64 (o) | | 16-Hb | 2.73 (m) | | 17-H | 3.28 (t, 9.4) | | 18-Me | 1.01 (s) | | 19-Me | 1.12 (s) | | 21-Me | 1.29 (s) | | 22-H | 4.13 (m) | | 23-Ha | 2.23 (d, 13.8) | | 23-Hb | 2.38 (, 5.8, 13.8) | | 25-H | 1.93 (m) | | 26-Me | 0.96 (d, 7.0) | | 27-Me | 1.14 (d, 7.0) | | 28-Ha | 3.88 (d, 10.9) | | 28-Hb | 4.06 (d, 10.9) |
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| M.P. | — °C | | [α]D20 | +22 ° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3417, 2966, 2077, 1639, 11015, 471 | | UV (EtOH) λ max (log ε) | 243.8 (0.45) |
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Permanent link to this datasheet: POLUMROID G
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