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Year of first isolation: |
1974 |
| Formula: | C28H46O7 |
| Molecular weight: | 494 |
| Occurence in plants: |
Polypodium aureum [Polypodiaceae] »  ![Wikipedia: Polypodium aureum [Polypodiaceae]](/images/wikipedia.png)
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| Occurence in animals: |
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| Canonical SMILES | CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)OC)O)O)O | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@@]([C@@H](CCC(C)(C)OC)O)(C)O)O)C)C » 
| | IUPAC Name | (2S,3R,5R,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one | | CAS-RN | | | PubChem CID | 101488250 | InChiKey
[ ChemIDPlus: search ] | WEJATQXDTFVZBO-IJYGRGDZSA-N | | InChI | InChI=1S/C28H46O7/c1-24(2,35-6)10-9-23(32)27(5,33)22-8-12-28(34)17-13-19(29)18-14-20(30)21(31)15-25(18,3)16(17)7-11-26(22,28)4/h13,16,18,20-23,30-34H,7-12,14-15H2,1-6H3/t16-,18-,20+,21-,22-,23+,25+,26+,27+,28+/m0/s1 |
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| CI-MS (NH3) m/z | | | EI-MS m/z (relative intensity %) | 476 (M-18) (0.08), 458 (0.8), 440 (3.8), 426 (4.3), 363 (42), 345 (75), 327 (50), 301 (19), 300(20), 285 (20), 269 (30), 267 (22), 213 (17), 113 (91), 99 (67), 95 (81), 81 (100). | | HR-MS | |
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| C5D5N | | 01 | | | 02 | | | 03 | | | 04 | | | 05 | | | 06 | | | 07 | | | 08 | | | 09 | | | 10 | | | 11 | | | 12 | | | 13 | | | 14 | | | 15 | | | 16 | | | 17 | | | 18 | | | 19 | | | 20 | | | 21 | | | 22 | | | 23 | | | 24 | | | 25 | | | 26 | | | 27 | |
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| CD3OD | | 01-Ha | | | 01-He | | | 02-Ha | | | 03-He | | | 04-Ha | | | 04-He | | | 05-H | | | 07-H | | | 11-Ha | | | 11-He | | | 12-Ha | | | 12-He | | | 14-H | | | 15-Ha | | | 15-Hb | | | 16-Ha | | | 16-Hb | | | 17-H | | | 18-Me | | | 19-Me | | | 20-H | | | 21-Me | | | 22-H | | | 23-Ha | | | 23-Hb | | | 24-Ha | | | 24-Hb | | | 25-H | | | 26-Me | | | 27-Me | |
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| M.P. | 251-253 °C | | [α]D20 | | | IR (KBr) ν max (cm-1) | | | UV (EtOH) λ max (log ε) | 244 (4.0) |
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Permanent link to this datasheet: POLYPODOAUREIN
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