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HYOUSTERONE B

Year of first isolation: 2007
Formula:C27H42O5
Molecular weight:446
Occurence in plants:
 
Occurence in animals:
Synoicum adareanum [Tunicate] » Images of Synoicum adareanum Wikipedia: Synoicum adareanum [Tunicate]
HYOUSTERONE B

STRUCTURE DESCRIPTORS

Canonical SMILESCC(CCCC(C)(C)O)C1CCC2(C1(CCC3C2=CC(=O)C4=CC(C(CC34C)O)O)C)O
Isomeric SMILES
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C1[C@]2(C(=C[C@@H]([C@@H]1O)O)C(=O)C=C1[C@@H]2CC[C@]2([C@@]1(CC[C@@H]2[C@H](C)CCCC(C)(C)O)O)C)C » JSMol: View in 3D
IUPAC Name(2R,3S,9R,10R,13R,14R,17R)-2,3,14-trihydroxy-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,9,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-6-one
CAS-RN 
PubChem CID24763150
InChiKey
[ ChemIDPlus: search ]
HRSCYVHZLUCLNT-PJPNZXBJSA-N
InChIInChI=1S/C27H42O5/c1-16(7-6-10-24(2,3)31)17-9-12-27(32)19-13-21(28)20-14-22(29)23(30)15-25(20,4)18(19)8-11-26(17,27)5/h13-14,16-18,22-23,29-32H,6-12,15H2,1-5H3/t16-,17-,18+,22+,23-,25-,26-,27+/m1/s1

MASS SPECTRUM

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

CARBON NMR

PROTON NMR

DMSO-d6
0138.2
0265.9
0364.6
04130.4
05143.6
06188.3
07123.8
08170.0
0945.8
1040.7
1120.4
1240.0
1348.7
1483.3
1540.5
1626.3
1755.4
1817.2
1920.7
2033.6
2120.6
2234.1
2321.5
2444.3
2568.7
2629.3
2729.3
DMSO-d6
01-Ha1.73 (m)
01-He1.60 (m)
02-He3.63 (m)
02-OH4.42
03-Ha3.99 (m)
03-OH4.74
04-H6.29 (d, 5.2)
07-H6.30 (s)
09-H2.56 (dd, 76.9, 10.0)
11-Ha1.66 (m)
11-He1.51 (m)
12-Ha1.90 (m)
12-He1.33 (m)
14-OH4.67
15-Ha1.50 (m)
15-Hb1.44 (m)
16-Ha1.68 (m)
16-Hb1.68 (m)
17-H1.50 (m)
18-Me0.91 (s)
19-Me0.98 (s)
20-H1.50 (m)
21-Me0.90 (d, 6.7)
22-Ha1.61 (m)
22-Hb0.92 (m)
23-Ha1.36 (m)
23-Hb1.17 (m)
24-Ha1.34 (m)
24-Hb1.26 (m)
25-OH4.08
26-Me1.06 (s)
27-Me1.06 (s)

PHYSICAL PROPERTIES

M.P.°C ;
[α]D20+ 24.2 (c 0.1, MeOH)
UV (MeOH) λ max (ε)213 (1676) ; 272 (586) ;
IR (KBr) ν max (cm-1)3389, 2927, 1655, 1618, 1457, 1031

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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