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24-METHYLSHIDASTERONE

Year of first isolation: 2003
Formula:C28H44O6
Molecular weight:476
Occurence in plants:
Vitex canescens [Lamiaceae] » Images of Vitex canescens Wikipedia: <br />
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Occurence in animals:
 
24-METHYLSHIDASTERONE

STRUCTURE DESCRIPTORS

Canonical SMILES 
Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ]
C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)(C1OC(C(C1)C)(C)C)O)O)C)C  » JSMol: View in 3D
C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)(C1OC([C@H](C1)C)(C)C)O)O)C)C  » JSMol: View in 3D
C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)(C1OC([C@@H](C1)C)(C)C)O)O)C)C  » JSMol: View in 3D
C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)(C1OC([C@H](C1)C)(C)C)O)O)C)C  » JSMol: View in 3D
C1[C@]2([C@@H](C[C@H]([C@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)(C1OC([C@@H](C1)C)(C)C)O)O)C)C » JSMol: View in 3D
IUPAC Name 
CAS-RN 
PubChem CID 
InChiKey
[ ChemIDPlus: search ]
OROYDWBESONNPD-NHPSDHSLSA-N
InChIInChI=1S/C28H44O6/c1-15-11-23(34-24(15,2)3)27(6,32)22-8-10-28(33)17-12-19(29)18-13-20(30)21(31)14-25(18,4)16(17)7-9-26(22,28)5/h12,15-16,18,20-23,30-33H,7-11,13-14H2,1-6H3/t15?,16-,18-,20+,21-,22-,23?,25+,26+,27+,28+/m0/s1

MASS SPECTRUM

HR-MS
ES-MS m/z499 [M+H+Na] +
EI-MS m/z (relative intensity %)458 [M-18], 440 (22), 422 (1), 363 (8), 345 (58), 327 (46), 309 (12), 301 (27), 283, 157 (12), 113 (37)

CARBON NMR

PROTON NMR

C5D5N
0138.00
0268.16
0368.24
0432.56
0551.47
06203.67
07121.76
08166.28
0934.50
1038.76
1121.70
1231.82
1347.77
1484.24
1531.80
1621.70
1750.80
1818.00
1924.50
2076.29
2121.10
2281.60
2335.50
2442.96
2582.50
2621.00
2727.40
2815.50
C5D5N
01-Ha 
01-He 
02-Ha4.18 (br, t)
03-He4.26 (br, s)
04-Ha 
04-He 
05-H3.03 (dd, 13.1, 3.5)
07-H6.22 (d, 2.1)
09-H3.61 (m)
11-Ha 
11-He 
12-Ha 
12-He 
15-Ha 
15-Hb 
16-Ha 
16-Hb 
17-H2.82
18-Me1.07 (s)*
19-Me0.99 (s)*
21-Me1.39 (s)
22-H4.09 (dd 8.9, 5.1)
23-Ha 
23-Hb 
24-H 
26-Me1.09 (s)*
27-Me1.20 (s)*
28-Me0.80 (d, 6.8)

PHYSICAL PROPERTIES

M.P.241-243 °C ;
[α]D20? ° (c ; MeOH)
IR (KBr) ν max (cm-1)3415 (OH), 1656 (carbonyl)
UV (EtOH) λ max (log ε)- (-) ;

CHROMATOGRAPHY

HPLC
GLC
HPTLC
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationLAOSOOKSAHIT, S. et al. (2003) The Journal of KMITNB 13(1), 1-13 Search more

see Important notice
© 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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