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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@]([C@@H](O)CC(C(C)C)=C)(O)C)=O)([H])C[C@@H](O)[C@@H](O)C1 » 
| | IUPAC Name | (2S,3R,5R,10R,13R,14R,16S,17R)-17-((2R,3S)-2,3-dihydroxy-6-methyl-5-methyleneheptan-2-yl)-2,3,14,16-tetrahydroxy-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 ] | LYMNQWJOEPYXOC-IGUSNELMSA-N | | InChI | InChI=1S/C28H44O7/c1-14(2)15(3)9-23(33)27(6,34)24-22(32)13-28(35)17-10-19(29)18-11-20(30)21(31)12-25(18,4)16(17)7-8-26(24,28)5/h10,14,16,18,20-24,30-35H,3,7-9,11-13H2,1-2,4-6H3/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 | 493.3154 [M+H]+, calculated 493.3165 for C28H45O7 |
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| C5D5N | | 01 | 37.7 | | 02 | 68.0 | | 03 | 67.9 | | 04 | 32.2 | | 05 | 51.2 | | 06 | 203.3 | | 07 | 21.6 | | 08 | 165.0 | | 09 | 34.0 | | 10 | 38.5 | | 11 | 20.8 | | 12 | 31.7 | | 13 | 48.3 | | 14 | 82.1 | | 15 | 45.1 | | 16 | 72.6 | | 17 | 51.0 | | 18 | 18.6 | | 19 | 24.3 | | 20 | 19.7 | | 21 | 20.9 | | 22 | 75.0 | | 23 | 38.5 | | 24 | 154.5 | | 25 | 33.4 | | 26 | 21.9 | | 27 | 21.7 | | 28 | 108.3 |
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| C5D5N | | 01-Ha | 1.97 (m) | | 01-Hb | 2.16 (dd, 3.4, 12.5) | | 02-H | 4.18 (dt, 4.1, 11.6) | | 03-He | 4.23 (br, s) | | 04-Ha | 1.73 (m) | | 04-He | 1.91 (m) | | 05-H | 3.05 (o) | | 07-H | 6.35 (br, s) | | 09-H | 3.62 (m) | | 11-Ha | 1.79 (dd, 4.7, 12.5) | | 11-Hb | 1.92 (m) | | 12-Ha | 2.09 (dd, 4.0, 13.1) | | 12-Hb | 2.60 (o) | | 15-Ha | 2.60 (o) | | 15-Hb | 2.73 (dd, 7.7, 13.4) | | 16-H | 5.28 (m) | | 17-H | 3.03 (o) | | 18-Me | 1.52 (s) | | 19-Me | 1.10 (s) | | 21-Me | 1.61 (s) | | 22-H | 4.67 (d, 8.9) | | 23-Ha | 2.40 (dd, 10.0, 14.5) | | 23-Hb | 2.62 (o) | | 25-H | 2.45 (m) | | 26-Me | 1.00 (d, 6.8) | | 27-Me | 1.02 (d, 6.8) | | 28-Ha | 4.92 (s) | | 28-Hb | 5.10 (s) |
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| M.P. | — °C | | [α]D20 | +36 ° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3455, 2966, 2070, 1639, 1032, 474 | | UV (Me OH) λ max (log ε) | 343.8 (0.2) |
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Permanent link to this datasheet: POLUMROID C
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