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Year of first isolation: |
2026 |
| Formula: | C28H44O5 |
| Molecular weight: | 460 |
| 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)[C@H](O)C[C@]4([H])[C@@H](/C=C/[C@](O)(C)C(C)C)C)=O)([H])C[C@@H](O)CC1 » 
| | IUPAC Name | (3S,5R,10R,13R,14R,15R,17R)-3,14,15-trihydroxy-17-((2R,5S,E)-5-hydroxy-5,6-dimethylhept-3-en-2-yl)-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 ] | YSGKJMLSVLZYGV-CLFQOGGFSA-N | | InChI | InChI=1S/C28H44O5/c1-16(2)27(6,32)12-7-17(3)20-15-24(31)28(33)21-14-23(30)22-13-18(29)8-10-25(22,4)19(21)9-11-26(20,28)5/h7,12,14,16-20,22,24,29,31-33H,8-11,13,15H2,1-6H3/b12-7+/t17-,18+,19?,20-,22+,24-,25-,26-,27-,28-/m1/s1 |
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| HR-ESI-MS (positive ion mode) m/z | 461.3264 [M+H]+, calculated 461.3267 for C28H45O5 |
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| C5D5N | | 01 | 35.5 | | 02 | 34.3 | | 03 | 69.1 | | 04 | 31.5 | | 05 | 56.8 | | 06 | 202.4 | | 07 | 123.6 | | 08 | 164.1 | | 09 | 34.1 | | 10 | 37.0 | | 11 | 20.6 | | 12 | 32.9 | | 13 | 46.2 | | 14 | 84.8 | | 15 | 76.4 | | 16 | 42.5 | | 17 | 50.3 | | 18 | 16.6 | | 19 | 23.6 | | 20 | 41.2 | | 21 | 21.8 | | 22 | 139.0 | | 23 | 131.2 | | 24 | 79.4 | | 25 | 37.5 | | 26 | 17.8 | | 27 | 17.4 | | 28 | 16.9 |
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| C5D5N | | 01-Ha | 1,87 (o) | | 01-Hb | 2.13 (m) | | 02-Ha | 1.88 (o) | | 02-Hb | 1.90 (o) | | 03-He | 3.88 (m) | | 04-Ha | 1.86 (o) | | 04-He | 2.01 (m) | | 05-H | 2.35 (m) | | 07-H | 7.36 (br, s) | | 09-H | 3.78 (m) | | 11-Ha | 1.20 (o) | | 11-Hb | 1.78 (m) | | 12-Ha | 1,87 (o) | | 12-Hb | 2.64 (td, 4.3, 12.7) | | 15-H | 4.81 (br, s) | | 16-Ha | 1.83 (m) | | 16-Hb | 2.84 (m) | | 17-H | 2.40 (m) | | 18-Me | 1.42 (s) | | 19-Me | 1.09 (s) | | 20-H | 2.46 (m) | | 21-Me | 1.20 (d, 6.2) | | 22-H | 5.47 (d, 15.6) | | 23-H | 5.36 (d, 15.6) | | 25-H | 1.79 (o) | | 26-Me | 0.88(d, 6.7) | | 27-Me | 0.93 (d, 6.7) | | 28-Me | 1.13 (s) |
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| M.P. | — °C | | [α]D20 | +37 ° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3456, 2981, 1640, 1033, 533 | | UV (MeOH) λ max (log ε) | 242.7 (0.10) |
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Permanent link to this datasheet: POLUMROID B
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