[(1r,2s,6s,7s)-7-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,8-dien-9-yl]methyl 4-hydroxybenzoate, CAS No. 11027-63-7

[(1r,2s,6s,7s)-7-hydroxy-2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,8-dien-9-yl]methyl 4-hydroxybenzoate CAS No.11027-63-7 / Cat No.EBD933339

Formula: C22H26O11

Molecular Weight:466.44

Synonyms:

Agnuside

Agnuside(P)

[(1R,2S,6S,7S)-7-Hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,8-dien-9-yl]methyl 4-hydroxybenzoate

Agnuside WITH HPLC

[(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate

Agnuside(P)

[(1R,2S,6S,7S)-7-Hydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-oxabicyclo[4.3.0]nona-4,8-dien-9-yl]methyl 4-hydroxybenzoate

Agnuside WITH HPLC

[(1S,4aR,5S,7aS)-1-(beta-D-glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate

agnuside

(4aR)-1c-2-D-Glucopyranosyloxy-7-(4-hydroxy-benzoyloxymethyl)-(4ar,7ac)-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-5c-ol

Agnosid

Agnusid

(4aR)-1c-2-D-Glucopyranosyloxy-7-(4-hydroxy-benzoyloxymethyl)-(4ar,7ac)-1,4a,5,7a-tetrahydro-cyclopenta[c]pyran-5c-ol

chasteberry oil

agnuside(p)

agnuside with hplc

agnuside (25 mg)

vitex oil

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Properties
Safety Information
NMR Spectrum

Properties

Appearance:

Light yellow liquid
Boiling point:

785.5 °C at 760 mmHg
Flashing point:

273.5 °C
Storage temperature:

−20°C

Safety Information

Symbol:
Signal words:

Warning
Hazard statements:

H319 Causes serious eye irritation.
Precautionary statements:

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

NMR Spectrum

Prediction： 1H NMR (200 MHz, CD3OD): delta 2.55 (IH, m, H-5), 2.90 (IH, m, H-9), 3.00-3.70 (4H, m, H-2,3,4,51), 3.72 (2H, d, J= 4.8 Hz, H-61), 4.35 (IH, m, H-6), 4.60 EPO (IH, d, J= 7.5 Hz, H-I1), 4.80 (IH, m, H-I), 4.90-4.94 (2H, m, H-IO)5 5.05 (IH, dd, J=6.6, 4.2 Hz, H-4), 5.79 (IH, br s, H-7), 6.25 (IH, dd, J= 6.6, 1.8 Hz, H-3), 6.75 (2H, d, J=8.4 Hz, H-3, H-5), 7.80 (2H, J= 8.4 Hz, H-2, H-6);

¹H NMR

¹³C NMR