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29-NORCYASTERONE 2-ACETATE

Year of first isolation: 1985
Formula:C30H44O9
Molecular weight:548
Occurence in plants:
Ajuga reptans [Lamiaceae (alt. Labiatae)] » Images of Ajuga reptans Wikipedia: <br />
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Occurence in animals:
 
29-NORCYASTERONE 2-ACETATE

STRUCTURE DESCRIPTORS

Canonical SMILES 
Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ]
C1[C@]2([C@@H](C[C@H]([C@H]1OC(=O)C)O)C(=O)C=C1[C@@H]2CC[C@]2([C@]1(CC[C@@H]2[C@](C)([C@H](O)C[C@@H]1COC(=O)[C@H]1C)O)O)C)C » JSMol: View in 3D
IUPAC Name 
CAS-RN 
PubChem CID 
InChiKey
[ ChemIDPlus: search ]
PLHIGOWWMYIGGC-IVOOEDNDSA-N
InChIInChI=1S/C30H44O9/c1-15-17(14-38-26(15)35)10-25(34)29(5,36)24-7-9-30(37)19-11-21(32)20-12-22(33)23(39-16(2)31)13-27(20,3)18(19)6-8-28(24,30)4/h11,15,17-18,20,22-25,33-34,36-37H,6-10,12-14H2,1-5H3/t15-,17+,18-,20-,22+,23-,24-,25+,27+,28+,29+,30+/m0/s1

MASS SPECTRUM

CI-MS (NH3) m/z 
EI-MS m/z (relative intensity %)530 (M-18)+ (2.4),
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 
28 
CD3OD
01-Ha 
01-He 
02-Ha 
03-He 
04-Ha 
04-He 
05-H 
07-H 
11-Ha 
11-He 
12-Ha 
12-He 
14-H 
15-Ha 
15-Hb 
16-Ha 
16-Hb 
17-H 
18-Me 
19-Me 
20-H 
21-Me 
22-H 
23-Ha 
23-Hb 
24-Ha 
24-Hb 
25-H 
26-Me 
27-Me 

PHYSICAL PROPERTIES

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

CHROMATOGRAPHY

HPTLC 
TLC 
GLC 
HPLC 

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationCAMPS, F. et al. (1985) J. Chem. Res. (S), 14-15 Search more
GeneralCAMPS, F. et al. (1985) J. Chem. Res. (M), 241-266 Search more

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© Universit√© 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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