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Year of first isolation: |
2020 |
| Formula: | C28H42O7 |
| Molecular weight: | 490 |
| Occurence in plants: |
Penianthus zenkeri [Menispermaceae] »  ![Wikipedia: Penianthus zenkeri [Menispermaceae]](/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@@H]4[C@](C)([C@H](O5)C[C@@H](C)[C@@H](C)C5=O)O)=O)([H])C[C@@H](O)[C@@H](O)C1 » 
| | IUPAC Name | (3R,4R,6R)-6-((1R)-1-hydroxy-1-((2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-3,4-dimethyltetrahydro-2H-pyran-2-one | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | FULFIHVZEXTASX-ZTIGFMEGSA-N | | InChI | InChI=1S/C28H42O7/c1-14-10-23(35-24(32)15(14)2)27(5,33)22-7-9-28(34)17-11-19(29)18-12-20(30)21(31)13-25(18,3)16(17)6-8-26(22,28)4/h11,14-16,18,20-23,30-31,33-34H,6-10,12-13H2,1-5H3/t14-,15-,16?,18+,20-,21+,22+,23-,25-,26-,27-,28-/m1/s1 |
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| HRESIMS (positive ion mode) m/z
| 513.2813 [M+Na]+, calc. for C28H42O7Na 513.2828 |
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| CD3OD | | 01 | 37.4 | | 02 | 68.7 | | 03 | 68.5 | | 04 | 31.8 | | 05 | 51.8 | | 06 | 206.4 | | 07 | 122.3 | | 08 | 167.7 | | 09 | 35.1 | | 10 | 39.3 | | 11 | 21.4 | | 12 | 31.5 | | 13 | 49.6 | | 14 | 85.2 | | 15 | 32.4 | | 16 | 21.5 | | 17 | 50.4 | | 18 | 24.4 | | 19 | 18.1 | | 20 | 76.7 | | 21 | 20.7 | | 22 | 84.4 | | 23 | 31.5 | | 24 | 39.1 | | 25 | 39.1 | | 26 | 178.7 | | 27 | 12.4 | | 28 | 18.4 |
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| CD3OD | | 01-Ha | 1.44 (m) | | 01-Hb | 1.81 (m) | | 02-Ha | 3.84 (dt, 12.0, 3.9) | | 03-He | 3.96 (br d, 3.0) | | 04-Ha | 1.74 (m) | | 04-Hb | 1.74 (m) | | 05-H | 2.40 (dd, 12.9, 4.4) | | 07-H | 5.83 (d, 2.3) | | 09-H | 3.17 (m) | | 11-Ha | 1.69 (m) | | 11-Hb | 1.80 (m) | | 12-Ha | 1.63 (m) | | 12-Hb | 1.79 (m) | | 15-Ha | 1.80 (m) | | 15-Hb | 1.80 (m) | | 16-Ha | 1.64 (m) | | 16-Hb | 2.02 (m) | | 17-H | 2.46 (m) | | 18-Me | 0.98 (s) | | 19-Me | 0.89 (s) | | 21-Me | 1.28 (s) | | 22-H | 4.29 (dd, 11.9, 4.1) | | 23-Ha | 1.37(m) | | 23-Hb | 2.18 (m) | | 24-H | 2.31 (sept, 7.0) | | 25-H | 2.85 (q, 7.0) | | 27-Me | 1.13 (d, 7.0) | | 28-Me | 0.92 (d, 7.0) |
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| M.P. | — °C ; | | [α]D25 | - (c ; MeOH) | | IR (KBr) ν max (cm-1) | | | UV (MeOH) λ max (log ε) | nm (-) ; |
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Permanent link to this datasheet: ZENKERSTERONE
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