CAS Registry Number®
479-98-1
CAS Name
Aucubin
Molecular Formula
C15H22O9
Molecular Mass
346.33
Compound Properties
-
Melting Point (1)
181 °C
Source(s)
- (1) Plouvier, Victor; Compt. rend., (1944), 218, 605-7, CAplus
Other Names and Identifiers
InChI
InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
InChIKey
InChIKey=RJWJHRPNHPHBRN-FKVJWERZSA-N
SMILES
O([C@H]1[C@]2([C@]([C@H](O)C=C2CO)(C=CO1)[H])[H])[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O
Canonical SMILES
OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12
Other Names for this Substance
- β-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl
- Aucubin
- β-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl, [1S-(1α,4aα,5α,7aα)]-
- (1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-(hydroxymethyl)cyclopenta[c]pyran-1-yl β-D-glucopyranoside
- Aucuboside
- Rhimantin
- Aucubine
- Aucubosid
- Acubin
Deleted or Replaced CAS Registry Numbers
99005-46-6, 11019-67-3, 11019-65-1, 22593-66-4
