Bergenin
Properties
- Molecular formula
- C14H16O9
- Molar mass
- 328.27 g/mol
- Exact mass
- 328.0794 Da
- Melting point
- 238 °C
- logP
- -1.20Crippen estimate
- Polar surface area
- 145.9 Ų
- H-bond donors / acceptors
- 5 / 9
- Rotatable bonds
- 2
- Stereocentres
- S, R, S, S, Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.4% of notifiers
Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
477-90-7SMILES
COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=OInChIKey
YWJXCIXBAKGUKZ-HJJNZUOJSA-NInChI
InChI=1S/C14H16O9/c1-21-11-5(16)2-4-7(9(11)18)12-13(23-14(4)20)10(19)8(17)6(3-15)22-12/h2,6,8,10,12-13,15-19H,3H2,1H3/t6-,8-,10+,12+,13-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, (2R,3S,4S,4aR,10bS)-
- Bergenit
- NSC 661749
- (-)-Bergenin
- Bergeninum
- Bengenin
- Pyrano[3,2-c][2]benzopyran-6(2H)-one, 3,4,4a,10b-tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-, [2R-(2α,3β,4α,4aα,10bβ)]-
- α-Resorcylic acid, 4-methoxy-2-[tetrahydro-3,4,5-trihydroxy-6-(hydroxymethyl)pyran-2-yl]-, δ-lactone
- (2R,3S,4S,4aR,10bS)-3,4,4a,10b-Tetrahydro-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxypyrano[3,2-c][2]benzopyran-6(2H)-one
- Ai cha su
- Corylopsin
- Vakerin
- Peltophorin
- Cuscutin
- Ardisic acid B
Work with Bergenin
Similar compounds
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Spinosin72063-39-939 % similar
Nepitrin569-90-439 % similar
Corilagin23094-69-138 % similar
Isoorientin4261-42-138 % similar
2′′-O-Galloylhyperin53209-27-137 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.