|
|
|
|
Year of first isolation: |
2023 |
| Formula: | C21H32O3 |
| Molecular weight: | 332 |
| Occurence in plants: |
Cladosporium oxysporum [Davidiellaceae] »  ![Wikipedia: Cladosporium oxysporum [Davidiellaceae]](/images/wikipedia.png)
|
| Occurence in animals: |
|
|
|
| |
| Canonical SMILES | | Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ] | C[C@H](O)C1CCC2C3=CC(C4CC(O)CC[C@]4(C)C3CC[C@@]21C)=O » 
| | IUPAC Name | (10R,13S)-3-hydroxy-17-((S)-1-hydroxyethyl)-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 ] | YEZWLHVLXHMSCE-PKNMYYIYSA-N | | InChI | InChI=1S/C21H32O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h11-13,15-18,22-23H,4-10H2,1-3H3/t12-,13?,15?,16?,17?,18?,20+,21+/m0/s1 |
| |
| HRESIMS (positive ion mode) m/z
| 333.2417 [M+H]+ , calculated 333.2424 for C21H33O3 |
|
|
| CD3OD | | 01 | 31.3 | | 02 | 20.8 | | 03 | 64.6 | | 04 | 27.1 | | 05 | 48.3 | | 06 | 202.8 | | 07 | 122.1 | | 08 | 165.0 | | 09 | 49.8 | | 10 | 38.4 | | 11 | 21.0 | | 12 | 37.6 | | 13 | 43.3 | | 14 | 55.1 | | 15 | 22.0 | | 16 | 25.2 | | 17 | 58.1 | | 18 | 11.8 | | 19 | 11.3 | | 20 | 69.3 | | 21 | 22.7 | | 22 | | | 23 | | | 24 | | | 25 | | | 26 | | | 27 | |
|
| CD3OD | | 01-Ha | 1.77 (m) | | 01-Hb | 1.58 (m) | | 02-Ha | 1.58 (m) | | 02-Hb | ? | | 03-He | 4.12 (m) | | 04-Ha | 1.97 (d, 14.5) | | 04-Hb | ? | | 05-H | 2.73 (dd, 12.3, 3.7) | | 07-H | 5.69 (s) | | 09-H | 2.41 (m) | | 11-Ha | 1.91 (m) | | 11-Hb | ? | | 12-Ha | 2.04 (m) | | 12-Hb | 1.49 (m) | | 14-H | 2.23 (dd, 11.8, 6.8) | | 15-Ha | 1.77 (m) | | 15-Hb | 1.58 (m) | | 16-Ha | 2.04 (m) | | 16-Hb | 1.58 (m) | | 17-H | 1.58 (m) | | 18-Me | 0.65 (s) | | 19-Me | 0.87 (s) | | 20-H | 3.65 (m) | | 21-Me | 1.25 (d, 6.18) |
|
| |
| [α]D25 | = - 2.7 (c = 0.3 mg/mL, MeOH) |
| |
| |
| |
| |
Permanent link to this datasheet: CLADOPSOL E
|
|
