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Year of first isolation: |
2021 |
| Formula: | C27H44O8 |
| Molecular weight: | 496 |
| Occurence in plants: |
Paris verticillata [Melanthiaceae] »  ![Wikipedia: Paris verticillata [Melanthiaceae]](/images/wikipedia.png)
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| Occurence in animals: |
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| Canonical SMILES | | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C[C@]34CC[C@H]1C(=CC(=O)[C@]2([C@@]1(C[C@@H]([C@@H](C2)O)O)C)O)[C@]3(CC[C@@H]4[C@](C)([C@@H](CCC(C)(C)O)O)O)O » 
| | IUPAC Name | (2S,3R,5S,10R,13R,14R,17S)-2,3,5,14-tetrahydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-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 ] | GMFLGNRCCFYOKL-YMVNSCGCSA-N | | InChI | InChI=1S/C27H44O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26-,27+/m0/s |
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| HRESIMS (negative ion mode) m/z | 497.3104 [M+H]+ (caculated for C27H45O8 497.3109) |
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| CD3OD | | 01 | 34.1 | | 02 | 68.3 | | 03 | 70.2 | | 04 | 36.5 | | 05 | 79.7 | | 06 | 201.9 | | 07 | 121.7 | | 08 | 167.3 | | 09 | 41.2 | | 10 | 45.4 | | 11 | 23.3 | | 12 | 41.7 | | 13 | 52.7 | | 14 | 85.6 | | 15 | 40.8 | | 16 | 24.7 | | 17 | 56.6 | | 18 | 19.2 | | 19 | 17.2 | | 20 | 77.7 | | 21 | 20.5 | | 22 | 78.4 | | 23 | 27.4 | | 24 | 42.2 | | 25 | 71.3 | | 26 | 29.9 | | 27 | 28.9 |
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| CD3OD | | 01-Ha | 1.71-1.73 (m) | | 01-Hb | 1.71-1.73 (m) | | 02-Ha | 3.95-3.98 (m) | | 03-He | 3.95-3.98 (m) | | 04-Ha | 1.76-1.78 (m) | | 04-Hb | 1.88-1.92 (m) | | 05-H | – | | 07-H | 6.32 (d, 2.3) | | 09-H | 2.87-2.91 (m) | | 11-Ha | 1.78-1.80 (m) | | 11-Hb | 1.78-1.80 (m) | | 12-Ha | 1.66-1.68 (m) | | 12-Hb | 1.78-1.80 (m) | | 15-Ha | 1.40-1.43 (m) | | 15-Hb | 2.26-2.28 (m) | | 16-Ha | 1.88-1.92 (m) | | 16-Hb | 2.05-2.08 (m) | | 17-H | 1.96-1.98 (m) | | 18-Me | 1.25 (s) | | 19-Me | 0.88 (s) | | 21-Me | 1.28 (s) | | 22-H | 3.48 (brd, 10.4) | | 23-Ha | 1.27-1.28 (m) | | 23-Hb | 1.56-1.59 (m) | | 24-Ha | 1.40-1.43 (m) | | 24-Hb | 1.78-1.80 (m) | | 26-Me | 1.20 (s) | | 27-Me | 1.18 (s) |
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| M.P. | — °C ; | | [α]D23 | -22.0° (c 0.10 ; MeOH) | | IR (KBr) ν max (cm-1) | 3352, 2923, 1660 | | UV (MeOH) λ max (log ε) | 251 nm (-) ; |
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Permanent link to this datasheet: 14-EPI-POLYPODINE B
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