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BOMBYCOSTEROL 3-PHOSPHATE

Year of first isolation: 1988
Formula:C27H45O8P
Molecular weight:528
Occurence in plants:
 
Occurence in animals:
Bombyx mori [Bombycidae] » Images of Bombyx mori Wikipedia: <br />
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BOMBYCOSTEROL 3-PHOSPHATE

STRUCTURE DESCRIPTORS

Canonical SMILESCC12CCC(CC1(C(C=C3C2CCC4(C3=CCC4C(C)(CCCC(C)(C)O)O)C)O)O)OP(=O)(O)O
Isomeric SMILES
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C1[C@]2([C@](C[C@H](C1)OP(=O)([O-])[O-])([C@H](C=C1[C@@H]2CC[C@]2(C1=CC[C@@H]2[C@](C)(CCCC(C)(C)O)O)C)O)O)C » JSMol: View in 3D
IUPAC Name[(3S,5R,6S,10R,13R,17S)-17-[(2R)-2,6-dihydroxy-6-methylheptan-2-yl]-5,6-dihydroxy-10,13-dimethyl-1,2,3,4,6,9,11,12,16,17-decahydrocyclopenta[a]phenanthren-3-yl] dihydrogen phosphate
CAS-RN117176-38-2
PubChem CID11466693
InChiKey
[ ChemIDPlus: search ]
UBFMELJDOQTPRP-LKXQFJSNSA-N
InChIInChI=1S/C27H45O8P/c1-23(2,29)11-6-12-26(5,30)21-8-7-19-18-15-22(28)27(31)16-17(35-36(32,33)34)9-14-25(27,4)20(18)10-13-24(19,21)3/h7,15,17,20-22,28-31H,6,8-14,16H2,1-5H3,(H2,32,33,34)/t17-,20?,21-,22-,24-,25+,26+,27-/m0/s1

MASS SPECTRUM

CI-MS (NH3) m/z 
EI-MS m/z (relative intensity %) 
FAB-MS m/z527 (M-H)-
HR-MS 

CARBON NMR

PROTON NMR

C5D5N
01 
02 
03 
04 
05 
06 
07 
08 
09 
10 
11 
12 
13 
14 
15 
16 
17 
18 
19 
20 
21 
22 
23 
24 
25 
26 
27 
CD3OD
01-Ha 
01-He 
02-Ha 
02-He 
03-He4.40 (m )
04-Ha 
04-He 
06-H3.87 (m )
07-H5.52 (m )
09-Ha 
11-Ha 
11-He 
12-Ha 
12-He 
15-H5.63 (m )
16-Ha 
16-Hb 
17-H 
18-Me0.958 (s )
19-Me1.007 (s )
21-Me1.273 (s )
22-H 
23-Ha 
23-Hb 
24-Ha 
24-Hb 
26-Me1.173 (s )
27-Me1.173 (s )

PHYSICAL PROPERTIES

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

CHROMATOGRAPHY

HPTLC 
TLC 
GLC 
HPLCRP-HPLC, Column Whatman ODS-3 Magnum 9 (250 mm long, 9.4 mm i.d.) eluted with a linear gradient (30 min) of methanol from 5:95 to 7:3 (v/v) flow-rate 3 ml.min-1, Ret 27.5 min.

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationHIRAMOTO, M. et al. (1988) Experientia 44, 823-825 Search more
GeneralOHNISHI, E. et al. (1989) Insect Biochem. 19, 95-101 Search more

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© Institute of Organic Chemistry and Biochemistry, Academy of Sciences, Prague, Czech Republic
© Institut National de la Recherche Agronomique, Versailles, France
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