CAS Registry Number®
11027-63-7
CAS Name
Agnuside
Molecular Formula
C22H26O11
Molecular Mass
466.44
Compound Properties
-
Melting Point (1)
146 °C
Source(s)
- (1) Hansel, R.; Arzneimittel-Forschung, (1959), 9, 189-90, CAplus
Other Names and Identifiers
InChI
InChI=1S/C22H26O11/c23-8-15-17(26)18(27)19(28)22(32-15)33-21-16-11(7-14(25)13(16)5-6-30-21)9-31-20(29)10-1-3-12(24)4-2-10/h1-7,13-19,21-28H,8-9H2/t13-,14+,15+,16+,17+,18-,19+,21-,22-/m0/s1
InChIKey
InChIKey=GLACGTLACKLUJX-QNAXTHAFSA-N
SMILES
O([C@H]1[C@]2([C@]([C@H](O)C=C2COC(=O)C3=CC=C(O)C=C3)(C=CO1)[H])[H])[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
Canonical SMILES
O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)C4=CC=C(O)C=C4
Other Names for this Substance
- β-D-Glucopyranoside, (1S,4aR,5S,7aS)-1,4a,5,7a-tetrahydro-5-hydroxy-7-[[(4-hydroxybenzoyl)oxy]methyl]cyclopenta[c]pyran-1-yl
- Agnuside
- β-D-Glucopyranoside, 1,4a,5,7a-tetrahydro-5-hydroxy-7-[[(4-hydroxybenzoyl)oxy]methyl]cyclopenta[c]pyran-1-yl, (1α,4aα,5α,7aα)-
- (1S,4aR,5S,7aS)-1,4a,5,7a-Tetrahydro-5-hydroxy-7-[[(4-hydroxybenzoyl)oxy]methyl]cyclopenta[c]pyran-1-yl β-D-glucopyranoside
- Buddlejoside A
- (-)-Buddlejoside A
- Agnoside
Deleted or Replaced CAS Registry Numbers
31712-40-0, 37264-64-5, 40737-96-0
