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CLADOPSOL E

Year of first isolation: 2023
Formula:C21H32O3
Molecular weight:332
Occurence in plants:
Cladosporium oxysporum [Davidiellaceae] » Images of Cladosporium oxysporum Wikipedia: Cladosporium oxysporum [Davidiellaceae]
Occurence in animals:
 
CLADOPSOL E

STRUCTURE DESCRIPTORS

Canonical SMILES 
Isomeric SMILES
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C[C@H](O)C1CCC2C3=CC(C4CC(O)CC[C@]4(C)C3CC[C@@]21C)=O » JSMol: View in 3D
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
InChIInChI=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

MASS SPECTRUM

HRESIMS (positive ion mode) m/z 333.2417 [M+H]+ , calculated 333.2424 for C21H33O3

CARBON NMR

PROTON NMR

CD3OD
0131.3
0220.8
0364.6
0427.1
0548.3
06202.8
07122.1
08165.0
0949.8
1038.4
1121.0
1237.6
1343.3
1455.1
1522.0
1625.2
1758.1
1811.8
1911.3
2069.3
2122.7
22 
23 
24 
25 
26 
27 
CD3OD
01-Ha1.77 (m)
01-Hb1.58 (m)
02-Ha1.58 (m)
02-Hb?
03-He4.12 (m)
04-Ha1.97 (d, 14.5)
04-Hb?
05-H2.73 (dd, 12.3, 3.7)
07-H5.69 (s)
09-H2.41 (m)
11-Ha1.91 (m)
11-Hb?
12-Ha2.04 (m)
12-Hb1.49 (m)
14-H2.23 (dd, 11.8, 6.8)
15-Ha1.77 (m)
15-Hb1.58 (m)
16-Ha2.04 (m)
16-Hb1.58 (m)
17-H1.58 (m)
18-Me0.65 (s)
19-Me0.87 (s)
20-H3.65 (m)
21-Me1.25 (d, 6.18)

PHYSICAL PROPERTIES

[α]D25= - 2.7 (c = 0.3 mg/mL, MeOH)

CHROMATOGRAPHY

 

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationLI, D.D. et al. (2023) Chemistry & Biodiversity 20, 9 Search more

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© Université Pierre & Marie Curie, Paris 6, France
© Institute of Organic Chemistry and Biochemistry, Academy of Sciences, Prague, Czech Republic
© Institut National de la Recherche Agronomique, Versailles, France
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