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CYANOSTERONE A

Year of first isolation: 2002
Formula:C27H44O5
Molecular weight:448
Occurence in plants:
Cyanotis arachnoidea [Commelinaceae] » Images of Cyanotis arachnoidea Wikipedia: Cyanotis arachnoidea [Commelinaceae]
Occurence in animals:
 
CYANOSTERONE A

STRUCTURE DESCRIPTORS

Canonical SMILES 
Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ]
C1[C@]2([C@H](C[C@H](C1)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)C)O)O)O)C)C » JSMol: View in 3D
IUPAC Name (3S,5S,9R,10R,13R,14S,17S)-17-[(2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl]-3,14-dihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
CAS-RN 
PubChem CID 152743396
InChiKey
[ ChemIDPlus: search ]
SLWGCLLVMYNVOQ-FMKAYLEOSA-N
InChIInChI=1S/C27H44O5/c1-16(2)6-7-23(30)26(5,31)22-10-13-27(32)19-15-21(29)20-14-17(28)8-11-24(20,3)18(19)9-12-25(22,27)4/h15-18,20,22-23,28,30-32H,6-14H2,1-5H3/t17-,18-,20+,22-,23+,24+,25+,26+,27+/m0/s1

MASS SPECTRUM

HR-MS
EI-MS m/z (relative intensity %)
ESI-MS m/z449 [MH]+

CARBON NMR

PROTON NMR

C5D5N
0137.3
0230.3
0370.1
0431.5
0553.9
06200.2
07122.9
08165.1
0946.6
1038.7
1121.1
1231.9
1347.9
1483.9
1531.7
1621.4
1750.1
1817.9
1913.1
2076.8
2121.6
2276.8
2330.0
2437.2
2528.2
2623.3
2722.4
C5D5N
01-Ha 
01-He 
02-Ha 
02-He 
03-He3.80 (m)
04-Ha 
04-He 
05-H2.21 (m)
07-H6.20 (br s)
09-H3.03 (ddd)
11-Ha 
11-He 
12-Ha 
12-He 
15-Ha 
15-Hb 
16-Ha 
16-Hb 
17-H(m)
18-Me1.23 (s)
19-Me0.92 (s)
21-Me1.59 (s)
22-H 
23-Ha 
23-Hb 
24-Ha 
24-Hb 
25-H 
26-Me0.82 (d, 3.3)
27-Me0.82 (d, 3.3)

PHYSICAL PROPERTIES

M.P.272-274 °C ;
[α]D20+ 12.7 ° (c ; MeOH)
IR (KBr) ν max (cm-1)
UV (MeOH) λ max (log ε)242.8 (-) ;

CHROMATOGRAPHY

HPLC
GLC
HPTLC
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationTAN, C.-Y. et al. (2002) J. Asian Prod. Res. 4, 7-10 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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