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HYOUSTERONE D

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

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
[ PubChem: search | XML ]
[ 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,14R,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 CID24763070
InChiKey
[ ChemIDPlus: search ]
FTLSNJYQNPACDY-BBAZIBAGSA-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] HR ESI-MS

CARBON NMR

PROTON NMR

DMSO-d6
0131.5
0266.0
03
04133.1
05140.7
06187.4
07125.4
08168.2
0972.7
1045.7
1125.9
1236.9
1347.4
1482.8
1541.2
1633.7
1755.9
1816.5
1924.5
2033.6
2120.8
2225.7
2328.7
2444.0
2568.7
2629.2
2729.2
DMSO-d6
01-Ha2.29 (m)
01-He1.27 (m)
02-He3.68 (m)
02-OH4.56
03-Ha 
03-OH4.62
04-H6.50 (d, 5.1)
07-H6.33 (s)
09-OH4.83
11-Ha1.43 (m)
11-He1.84 (m)
12-Ha1.75 (m)
12-He1.29 (m)
14-OH4.62
15-Ha2.23 (m)
15-Hb1.36 (m)
16-Ha0.89 (m)
16-Hb1.63 (m)
17-H1.49 (m)
18-Me0.91 (s)
19-Me1.11 (s)
20-H1.48 (m)
21-Me0.91 (d, 5.7)
22-Ha1.63 (m)
22-Hb1.63 (m)
23-Ha1.23 (m)
23-Hb1.23 (m)
24-Ha1.34 (m)
24-Hb1.25 (m)
25-OH4.04
26-Me1.06 (s)
27-Me1.06 (s)

PHYSICAL PROPERTIES

M.P.°C ;
[α]D23- 34.2 (c 0.1, MeOH)
UV (MeOH) λ max (ε)206 (1795) ; 272 (616) ;
IR (KBr) ν max (cm-1)3587, 3385, 2924, 2854, 173, 1684, 1457, 1375, 1073

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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