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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)[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,17R)-2,3,14-trihydroxy-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 ] | ICLREGMXAKLAOT-MGOHJUDXSA-N | | InChI | InChI=1S/C28H44O6/c1-14-13-34-25(24(32)15(14)2)16(3)17-7-9-28(33)19-10-21(29)20-11-22(30)23(31)12-26(20,4)18(19)6-8-27(17,28)5/h10,14-18,20,22-25,30-33H,6-9,11-13H2,1-5H3/t14-,15+,16+,17+,18?,20-,22+,23-,24-,25-,26+,27+,28+/m0/s1 |
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| HRESIMS (negative ion mode) m/z | 521.3097 [M+COOH], calculated 521.3114 for C28H45O6 |
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| C5D5N | | 01 | 37.8 | | 02 | 68.1 | | 03 | 67.9 | | 04 | 32.3 | | 05 | 51.3 | | 06 | 203.6 | | 07 | 121.3 | | 08 | 166.0 | | 09 | 34.4 | | 10 | 38.6 | | 11 | 21.0 | | 12 | 31.3 | | 13 | 47.5 | | 14 | 83.7 | | 15 | 32.0 | | 16 | 27.2 | | 17 | 47.2 | | 18 | 15.6 | | 19 | 24.4 | | 20 | 42.6 | | 21 | 15.4 | | 22 | 77.4 | | 23 | 86.4 | | 24 | 47.0 | | 25 | 42.8 | | 26 | 74.3 | | 27 | 15.7 | | 28 | 18.1 |
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| C5D5N | | 01-Ha | 1.94 (o) | | 01-Hb | 2.13 (dd, 4.0, 13.3) | | 02-Ha | 4.22 (br, s) | | 03-He | 4.14 (m) | | 04-Ha | 1.80 (o) | | 04-Hb | 2.04 (o) | | 05-H | 3.03 (m) | | 07-H | 6.24 (br, s) | | 09-H | 3.57 (t, 8.2) | | 11-Ha | 1.64 (dd, 3.2, 11.9) | | 11-Hb | 1.82 (o) | | 12-Ha | 1.88 (o) | | 12-Hb | 2.60 (td, 4.2, 13.0) | | 15-Ha | 1.86 (o) | | 15-Hb | 2.03 (o) | | 16-Ha | 1.71 (o) | | 16-Hb | 2.48 (m) | | 17-H | 3.07 (m) | | 18-Me | 0.74 (s) | | 19-Me | 1.07 (s) | | 20-H | 2.23 (m) | | 21-Me | 1.40 (d, 6.8) | | 22-H | 4.07 (dd, 2.1, 7.8) | | 23-H | 3.86 (m) | | 24-H | 1.96 (o) | | 25-H | 1.73 (o) | | 26-Ha | 3.35 (t, 8.3) | | 26-Hb | 3.88 (m) | | 27-Me | 0.91 (d, 6.6) | | 28-Me | 1.30 (d, 6.5) |
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| M.P. | — °C | | [α]D20 | +56 ° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3424, 2950, 2053, 1647, 1018, 480 | | UV (MeOH) λ max (log ε) | 245.0 (0.60) |
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Permanent link to this datasheet: POLUMROID H
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