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Year of first isolation: |
2004 |
| Formula: | C29H44O6 |
| Molecular weight: | 490 |
| 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@](C)([C@H](O)C5C(C5C)C(C)C)O)=O)([H])C[C@@H](O)[C@@H](O)C1 » 
| | IUPAC Name | (2S,3R,5S,10R,13R,14S,17S)-17-((1R,2R)-1,2-dihydroxy-1-(2-isopropyl-3-methylcyclopropyl)propan-2-yl)-2,3,14-trihydroxy-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 ] | BKHLSRRKSKUGAW-RGIXEVRTSA-N | | InChI | InChI=1S/C29H46O6/c1-14(2)23-15(3)24(23)25(33)28(6,34)22-8-10-29(35)17-11-19(30)18-12-20(31)21(32)13-26(18,4)16(17)7-9-27(22,29)5/h11,14-16,18,20-25,31-35H,7-10,12-13H2,1-6H3/t15?,16?,18-,20-,21+,22+,23?,24?,25-,26-,27-,28-,29-/m1/s1 |
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| HR-MS (positive ion mode) m/z | 490.6780, calculated 490.6788 for C29H44O6 | | EI-MS m/z | 490[M]+, 434 [M-C4H8]+, 406 [M-C6H12]+, 363 [M-C8H15]+ |
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| C5D5N | | 01 | 38.2 | | 02 | 68.1 | | 03 | 68.1 | | 04 | 32.1 | | 05 | 51.1 | | 06 | 203.4 | | 07 | 121.5 | | 08 | 165.2 | | 09 | 34.2 | | 10 | 38.6 | | 11 | 21.2 | | 12 | 32.0 | | 13 | 48.0 | | 14 | 82.8 | | 15 | 31.7 | | 16 | 21.5 | | 17 | 50.1 | | 18 | 17.9 | | 19 | 24.4 | | 20 | 76.9 | | 21 | 21.4 | | 22 | 74.6 | | 23 | 46.3 | | 24 | 45.2 | | 25 | 30.9 | | 26 | 21.6 | | 27 | 16.8 | | 28 | 28.4 | | 29 | 20.55 |
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| C5D5N | | 01-Ha | | | 01-Hb | | | 02-Ha | 4.18 (ddd, 11.2, 8.9, 4.8) | | 03-He | 4.24 (ddd, 11.2, 8.9, 4.8) | | 04-Ha | 1.62 (m) | | 04-Hb | 1.76 (m) | | 05-H | | | 07-H | 6.27 (d, 2.5) | | 09-H | 3.63 (m) | | 11-H | | | 12-Ha | | | 12-Hb | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | 2.95 (dd, 4.4, 9.0) | | 18-Me | 1.25 (s) | | 19-Me | 1.90 (s) | | 21-Me | 1.58 (s) | | 22-H | 3.94 (brd, 9.5) | | 23-H | 0.74 (m) | | 24-H | 0.13 (ddd,4.5, 8.0, 4.5) | | 25-H | 1.87 (m) | | 26-Me | 0.94 (d, 6.1) | | 27-Me | 0.89 (d, 6.1) | | 28-H | 0.73 (m) | | 29-Me | 0.91 (d,6.8) |
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| M.P. | 221 °C ; | | [α]D20 | + ° (c ; MeOH) | | IR (KBr) ν max (cm-1) | 3335 (OH), 1685 | | UV (MeOH) λ max (log ε) | 241 nm (4.01) ; |
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Permanent link to this datasheet: POLYPORUSTERONE II
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