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CYANOSTERONE B

Year of first isolation: 2002
Formula:C27H44O6
Molecular weight:464
Occurence in plants:
Cyanotis arachnoidea [Commelinaceae] » Images of Cyanotis arachnoidea Wikipedia: Cyanotis arachnoidea [Commelinaceae]
Occurence in animals:
 
CYANOSTERONE B

STRUCTURE DESCRIPTORS

Canonical SMILES 
Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ]
C1[C@]2([C@@](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)O)C » JSMol: View in 3D
IUPAC Name(3S,5S,9R,10R,13R,14S,17S)-17-((2R,3R)-2,3-dihydroxy-6-methylheptan-2-yl)-3,5,14-trihydroxy-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 ]
RBGYQRDZQHQLFS-UMMQJOAPSA-N
InChIInChI=1S/C27H44O6/c1-16(2)6-7-21(29)25(5,31)20-10-13-26(32)19-14-22(30)27(33)15-17(28)8-11-23(27,3)18(19)9-12-24(20,26)4/h14,16-18,20-21,28-29,31-33H,6-13,15H2,1-5H3/t17-,18-,20-,21+,23+,24+,25+,26+,27+/m0/s1

MASS SPECTRUM

HR-MS
EI-MS m/z (relative intensity %)
CI-MS (NH3) m/z

CARBON NMR

PROTON NMR

C5D5N
0131.3
0231.8
0367.0
0437.7
0577.5
06200.7
07120.2
08165.9
0940.3
1041.6
1121.3
1232.1
1348.1
1484.0
1531.7
1621.6
1760.2
1818.0
1916.1
2076.9
2121.7
2276.9
2330.3
2437.2
2528.2
2623.4
2722.3
C5D5N
01-Ha 
01-He 
02-Ha 
02-He 
03-He4.66 (m)
04-Ha2.21 (d, 12.0)
04-He2.96 (dd, 3.8, 12.0)
07-H6.18 (br, s)
09-H 
11-Ha 
11-He 
12-Ha 
12-He 
15-Ha 
15-Hb 
16-Ha 
16-Hb 
17-H 
18-Me 
19-Me 
21-Me1.59 (s)
22-H 
23-Ha 
23-Hb 
24-Ha 
24-Hb 
25-H 
26-Me 
27-Me 

PHYSICAL PROPERTIES

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

CHROMATOGRAPHY

HPLC
GLC
HPTLC
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationTAN, C.Y. et al. (2002) Chin. Chem. Lett. 13 (3), 245-246 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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