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Year of first isolation: |
2004 |
| Formula: | C30H46O7 |
| Molecular weight: | 518 |
| 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)CC(C(C)C)=C)O)=O)([H])C[C@@H](O)[C@@H](OC(C)=O)C1 » 
| | IUPAC Name | (2S,3R,5S,10R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methyl-5-methyleneheptan-2-yl)-3,14-dihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | JAMKKMXIEALOLX-GXFVEBAPSA-N | | InChI | InChI=1S/C30H46O7/c1-16(2)17(3)12-26(34)29(7,35)25-9-11-30(36)20-13-22(32)21-14-23(33)24(37-18(4)31)15-27(21,5)19(20)8-10-28(25,30)6/h13,16,19,21,23-26,33-36H,3,8-12,14-15H2,1-2,4-7H3/t19?,21-,23-,24+,25+,26-,27-,28-,29-,30-/m1/s1 |
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| FAB-MS m/z | 519 [M+H]+, 518 [M]+, 425 [M-H2O-CH3-AcOH]+, 405 [M-C7H13O]+ |
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| C5D5N | | 01 | 37.9 | | 02 | 72.7 | | 03 | 68.3 | | 04 | 32.5 | | 05 | 51.3 | | 06 | 203.6 | | 07 | 121.8 | | 08 | 166.3 | | 09 | 34.5 | | 10 | 38.9 | | 11 | 21.3 | | 12 | 32.1 | | 13 | 48.1 | | 14 | 82.9 | | 15 | 31.9 | | 16 | 21.5 | | 17 | 50.0 | | 18 | 18.0 | | 19 | 24.4 | | 20 | 76.9 | | 21 | 21.5 | | 22 | 74.7 | | 23 | 37.3 | | 24 | 154.1 | | 25 | 30.0 | | 26 | 21.5 | | 27 | 16.6 | | 28 | 108.5 | | AcO | 170.5, 21.5 |
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| C5D5N | | 01-Ha | | | 01-Hb | | | 02-Ha | 4.68 (ddd, 11.2, 8.9, 3.8) | | 03-He | 4.34 (ddd, 11.2, 8.9, 3.8) | | 04-Ha | 1.68 (m) | | 04-Hb | 1.80 (m) | | 05-H | | | 07-H | 6.29 (d, 2.5) | | 09-H | 3.62 (m) | | 11-H | | | 12-Ha | | | 12-Hb | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | 2.96 (dd, 9.4, 9.0) | | 18-Me | 1.24 (s) | | 19-Me | 1.91 (s) | | 21-Me | 1.60 (s) | | 22-H | 4.00 (brd, 10.1) | | 23-Ha | | | 23-Hb | | | 25-H | 1.86 speted, 6.8) | | 26-Me | 1.05 (d, 6.8) | | 27-Me | 0.90 (d, 6.8) | | 28-H | 5.12 (brs), 4.99 (brs) | | AcO | 2.03 (s) |
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| M.P. | 245 °C ; | | [α]D20 | +53° (c 0.5 ; MeOH) | | IR (KBr) ν max (cm-1) | 3400 (OH), 1742 (acetyj), 1659, 804 | | UV (MeOH) λ max (log ε) | 242nm (4.02) ; |
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Permanent link to this datasheet: POLYPORUSTERONE I (1)
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