Welcome to online ecdysteroids database ! . .
Access data · History · Contact

BATHORISTERONE

Year of first isolation: 2021
Formula:C21H28O5
Molecular weight:360
Occurence in plants:
Cyanotis arachnoidea [Commelinaceae] » Images of Cyanotis arachnoidea Wikipedia: Cyanotis arachnoidea [Commelinaceae]
Occurence in animals:
 
BATHORISTERONE

STRUCTURE DESCRIPTORS

Canonical SMILES 
Isomeric SMILES
[ PubChem: search | XML ]
[ ChemSpider: search ]
C[C@@H](O[H])[C@H]1CC=C2[C@@]1(CCC3=C2C(C(=C4[C@@]3(C[C@@H]([C@@H](C4)O[H])O[H])C)O[H])=O)C » JSMol: View in 3D
IUPAC Name(2S,3R,10R,13R,17S)-2,3,6-trihydroxy-17-((S)-1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,10,11,12,13,16,17-decahydro-7H-cyclopenta[a]phenanthren-7-one
CAS-RN 
PubChem CID 
InChiKey
[ ChemIDPlus: search ]
MDKHMIPDOCCOFX-IXPLOCOZSA-N
InChIInChI=1S/C21H28O5/c1-10(22)11-4-5-12-17-13(6-7-20(11,12)2)21(3)9-16(24)15(23)8-14(21)18(25)19(17)26/h5,10-11,15-16,22-25H,4,6-9H2,1-3H3/t10-,11-,15-,16+,20-,21-/m1/s1

MASS SPECTRUM

HRESIMS (positive ion mode) m/z 361.20089 [M+H]+, calculated for C21H29O5 361.20095

CARBON NMR

PROTON NMR

DMSO-d6
0141.7
0268.3
0372.2
0427.1
05133.0
06142.8
07179.7
08123.2
09164.1
1041.1
1123.8
1234.8
1344.6
14141.5
15126.5
1635.4
1757.8
1816.0
1927.3
2067.0
2124.3
DMSO-d6
01-Hɑ1.26
01-Hβ2.27 (dd, 14.1, 3.0)
02-Hɑ3.83
03-Hɑ3.33
04-Hɑ2.91 (ddd, 12.2, 4.6, 1.0)
04-Hβ2.38 (d, 12.2)
05-H-
07-H-
09-H-
11-Hɑ2.58
11-Hβ2.52
12-Hɑ1.34
12-Hβ1.99
14-Hɑ-
15-Hɑ-
15-Hβ6.77 (dd, 3.2, 2.2)
16-Hɑ2.46
16-Hβ2.35
17-Hɑ1.58 (dt, 10.2, 8.2)
18-Me0.76 (s)
19-Me1.40 (s)
20-H3.68 (dq, 14.5, 6.1)
21-Me1.15 (d, 6.1)

PHYSICAL PROPERTIES

M.P.— °C ;
[α]D25+81° (c 0.061 ; MeOH)
IR (KBr) ν max (cm-1)
UV (MeOH) λ max (log ε)245 nm (-) ;

CHROMATOGRAPHY

GLC
TLC
HPLC
HPTLC

BIOLOGICAL ACTIVITIES

 

REFERENCES

First isolationTÓTH G., HERKE et al. (2021) J. Nat. Prod. 84, 1870–1881 Search more

see Important notice
© 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
designed by Cybersales a.s.
Powered by Cybersales
PRINTER READY | MEDIUM | WIDE