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HYOUSTERONE C

Year of first isolation: 2007
Formula:C27H42O6
Molecular weight:462
Occurence in plants:
 
Occurence in animals:
Synoicum adareanum [Tunicate] » Images of Synoicum adareanum Wikipedia: Synoicum adareanum [Tunicate]
HYOUSTERONE C

STRUCTURE DESCRIPTORS

Canonical SMILESCC(CCCC(C)(C)O)C1CCC2(C1(CCC3(C2=CC(=O)C4=CC(C(CC43C)O)O)O)C)O
Isomeric SMILES
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[ ChemSpider: search ]
C1[C@]2(C(=C[C@@H]([C@@H]1O)O)C(=O)C=C1[C@@]2(CC[C@]2([C@]1(CC[C@@H]2[C@H](C)CCCC(C)(C)O)O)C)O)C » JSMol: View in 3D
IUPAC Name(2R,3S,9S,10S,13R,14S,17R)-2,3,9,14-tetrahydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-6-one
CAS-RN 
PubChem CID24763069
InChiKey
[ ChemIDPlus: search ]
FTLSNJYQNPACDY-IXPAMECOSA-N
InChIInChI=1S/C27H42O6/c1-16(7-6-9-23(2,3)31)17-8-10-26(32)22-14-19(28)18-13-20(29)21(30)15-25(18,5)27(22,33)12-11-24(17,26)4/h13-14,16-17,20-21,29-33H,6-12,15H2,1-5H3/t16-,17-,20+,21-,24-,25+,26-,27-/m1/s1

MASS SPECTRUM

EI-MS m/z (relative intensity %)
ESI-MS (negative) m/z491 [M-H] HRESIMS

CARBON NMR

PROTON NMR

DMSO-d6
0131.5
0266.0
0364.4
04133.5
05141.5
06187.6
07124.0
08162.2
0973.5
1044.9
1127.6
1229.3
1346.0
1484.9
1530.1
1626.3
1750.0
1815.7
1925.0
2035.1
2118.9
2236.4
2320.5
2444.2
2569.0
2629.5
2729.5
DMSO-d6
01-Ha2.37 (t, 12.0)
01-He1.60 (m)
02-He3.69 (m)
02-OH4.58
03-Ha4.02 (br, s)
03-OH4.67
04-H6.46 (d, 5.2)
07-H5.90 (s)
09-OH5.33
11-Ha1.61 (m)
11-He2.01 (m)
12-Ha1.24 (m)
12-He1.24 (m)
14-OH5.37
15-Ha1.66 (m)
15-Hb1.77 (m)
16-Ha1.89 (m)
16-Hb1.28 (m)
17-H1.83 (m)
18-Me0.66 (s)
19-Me1.14 (s)
20-H1.40 (m)
21-Me0.91 (d, 6.5)
22-Ha1.33 (m)
22-Hb1.02 (m)
23-Ha1.89 (m)
23-Hb1.35 (m)
24-Ha1.34 (m)
24-Hb1.24 (m)
25-OH4.09
26-Me1.06 (s)
27-Me1.06 (s)

PHYSICAL PROPERTIES

M.P.°C ;
[α]D26+ 7.0 (c 0.1, MeOH)
UV (MeOH) λ max (ε)208 (1859) ; 266 (693) ;
IR (KBr) ν max (cm-1)3628, 3385, 2924, 2854, 1669, 1635, 1458, 881

CHROMATOGRAPHY

HPLC
GLC
HPTLC
TLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationMIYATA Y. et al. (2007) J. Nat. Prod. 70, 1859-1864 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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