|
|
|
|
Year of first isolation: |
2026 |
| Formula: | C28H46O4 |
| Molecular weight: | 446 |
| Occurence in plants: |
Polyporus umbellatus [Fungi] »  ![Wikipedia: Polyporus umbellatus [Fungi]](/images/wikipedia.png)
|
| Occurence in animals: |
|
|
|
| |
Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C[C@]12C(C[C@@H](O)CC2)=C[C@H](O)[C@]3([H])[C@]1(O)[C@H](O)C[C@@]4(C)[C@]3([H])CC[C@]4([H])[C@@H](/C=C/[C@H](C)C(C)C)C » 
| | IUPAC Name | (3S,7S,8R,9R,10S,11R,13R,14R,17R)-17-((2R,5R,E)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethyl-1,2,3,4,7,8,10,11,12,13,14,15,16,17-tetradecahydro-9H-cyclopenta[a]phenanthrene-3,7,9,11-tetraol | | CAS-RN | | | PubChem CID | | InChiKey
[ ChemIDPlus: search ] | SSPNPZDJXVSQAT-QKMPEDGOSA-N | | InChI | InChI=1S/C28H46O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-25-23(30)14-19-13-20(29)11-12-27(19,6)28(25,32)24(31)15-26(21,22)5/h7-8,14,16-18,20-25,29-32H,9-13,15H2,1-6H3/b8-7+/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-,28+/m0/s1 |
| |
| HR-ESI-MS (positive ion mode) m/z | 469.3292 [M+Na]+, calculated 469.3294 for C28H46O4Na |
|
|
| C5D5N | | 01 | 27.0 | | 02 | 33.5 | | 03 | 70.9 | | 04 | 27.4 | | 05 | 136.4 | | 06 | 130.1 | | 07 | 68.4 | | 08 | 33.2 | | 09 | 76.3 | | 10 | 44.7 | | 11 | 66.8 | | 12 | 36.9 | | 13 | 42.2 | | 14 | 50.9 | | 15 | 31.0 | | 16 | 26.1 | | 17 | 54.7 | | 18 | 11.7 | | 19 | 24.7 | | 20 | 40.9 | | 21 | 21.2 | | 22 | 136.2 | | 23 | 132.0 | | 24 | 43.0 | | 25 | 33.2 | | 26 | 19.7 | | 27 | 20.0 | | 28 | 17.8 |
|
| C5D5N | | 01-Ha | 1.67 (m) | | 01-Hb | 2.37 (td, 3.1, 13.7) | | 02-Ha | 2.61 (dt, 3.1, 14.8) | | 02-Hb | 2.71 (o) | | 03-He | 4.41 (d, 6.0) | | 04-Ha | 2.10 (o) | | 04-Hb | 2.37 td, .1, 13.7) | | 06-H | 5.49 (m) | | 07-H | 4.59 (d, 5.6) | | 08-H | 1.47 (o) | | 11-H | 4.38 (m) | | 12-Ha | 1.60 (m) | | 12-He | 2.07 (o) | | 14-H | 2.69 (o) | | 15-Ha | 1.56(m) | | 15-Hb | 1.89 (o) | | 16-H | 1.85 (o) | | 17-H | 1.37 (o) | | 18-Me | 0.76 (s) | | 19-Me | 1.38 (s) | | 20-H | 2.11 (o) | | 21-Me | 1.13 (d, 6.6) | | 22-H | 5.22 (dd, 8.1, 15.3) | | 23-H | 5.27 (dd, 7.4, 15.3) | | 24-H | 1.88 (o) | | 25-H | 1.47 (o) | | 26-Me | 0.86 (d, 3.5) | | 27-Me | 0.87 (d, 3.5) | | 28-Me | 0.95 (d, 6.8) |
|
| |
| M.P. | — °C | | [α]D20 | +26 ° (c 0.1 ; MeOH) | | IR (KBr) ν max (cm-1) | 3471, 2981, 2053, 1639, 1054, 493 | | UV (MeOH) λ max (log ε) | |
| |
| |
| |
| |
Permanent link to this datasheet: POLUMROID K
|
|
