|
|
|
|
Year of first isolation: |
2024 |
| Formula: | C30H48O8 |
| Molecular weight: | 536 |
| Occurence in plants: |
Cyanotis arachnoidea [Commelinaceae] »  ![Wikipedia: Cyanotis arachnoidea [Commelinaceae]](/images/wikipedia.png)
|
| Occurence in animals: |
|
|
|
| |
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)C[C@@H](C)C(C)(O)C)O)=O)([H])C[C@@H](O)[C@@H](OC(C)=O)C1 » 
| | IUPAC Name | (2S,3R,5R,10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-6-oxo-17-((2R,3R,5R)-2,3,6-trihydroxy-5,6-dimethylheptan-2-yl)-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 ] | VSFHCCBFPRDMGY-ZJVDWJCOSA-N | | InChI | InChI=1S/C30H48O8/c1-16(26(3,4)35)12-25(34)29(7,36)24-9-11-30(37)19-13-21(32)20-14-22(33)23(38-17(2)31)15-27(20,5)18(19)8-10-28(24,30)6/h13,16,18,20,22-25,33-37H,8-12,14-15H2,1-7H3/t16-,18?,20+,22-,23+,24+,25-,27-,28-,29-,30-/m1/s1 |
| |
| HRESIMS (positive ion mode) m/z
| 537.343 [M+H]+ |
|
|
| C5D5N | | 01 | 34.2 | | 02 | 73.1 | | 03 | 65.7 | | 04 | 33.1 | | 05 | 51.7 | | 06 | 203.3 | | 07 | 122.1 | | 08 | 166.7 | | 09 | 34.8 | | 10 | 39.3 | | 11 | 21.7 | | 12 | 32.5 | | 13 | 48.6 | | 14 | 84.7 | | 15 | 32.3 | | 16 | 21.8 | | 17 | 50.4 | | 18 | 18.4 | | 19 | 24.8 | | 20 | 77.4 | | 21 | 22.1 | | 22 | 75.1 | | 23 | 35.1 | | 24 | 42.3 | | 25 | 72.6 | | 26 | 27.1 | | 27 | 28.8 | | 28 | 15.9 | | C=O | 170.9 | | CH3CO | 21.6 |
|
| C5D5N | | 01-Ha | — | | 01-Hb | — | | 02-Ha | 5.27 (m) | | 03-He | 4.32 (m) | | 04-Ha | — | | 04-Hb | — | | 05-H | 3.08 (m) | | 07-H | 6.31 (d, 1.8) | | 09-H | 3.69 (br, s) | | 11-Ha | — | | 11-Hb | — | | 12-Ha | 2.58 (m) | | 12-Hb | 2.58 (m) | | 15-Ha | — | | 15-Hb | — | | 16-Ha | — | | 16-Hb | — | | 17-H | 2/99 (br, t) | | 18-Me | 1.26 (s) | | 19-Me | 1.12 (s) | | 21-Me | 1.61 (s) | | 22-H | 4.02 (d, 7.3) | | 23-Ha | 2.16 (m) | | 23-Hb | 1.64 (m) | | 26-Me | 1.38 (s) | | 27-Me | 1.37 (s) | | 28-Me | 1.11 (S) | | CH3CO | 1.98 (S) |
|
| |
| M.P. | — °C | | [α]D20 | + (c ; MeOH) | | IR (KBr) ν max (cm-1) | 3417, 1716, 1649, 1O47 | | UV (MeOH) λ max (log ε) | nm (-) |
| |
| |
| |
| |
Permanent link to this datasheet: MAKISTERONE A 2-ACETATE
|
|
