CAS Registry Number®
477-90-7
CAS Name
(-)-Bergenin
Molecular Formula
C14H16O9
Molecular Mass
328.27
Compound Properties
-
Melting Point (1)
238 °C
Source(s)
- (1) Drugs – Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)
Other Names and Identifiers
InChI
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/s1
InChIKey
InChIKey=YWJXCIXBAKGUKZ-HJJNZUOJSA-N
SMILES
OC1=C2[C@]3([C@](OC(=O)C2=CC(O)=C1OC)([C@@H](O)[C@H](O)[C@@H](CO)O3)[H])[H]
Canonical SMILES
O=C1OC2C(O)C(O)C(OC2C3=C(O)C(OC)=C(O)C=C13)CO
Other Names for this Substance
- 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)-
- Bergenin
- 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
- Bergenit
- NSC 661749
- (-)-Bergenin
- Bergeninum
- Bengenin
Deleted or Replaced CAS Registry Numbers
1391-25-9, 12262-00-9, 22550-81-8
