Spiraein
CAS Registry Number®
14907-56-3
CAS Name
SpiraeinMolecular Formula
C18H24O11Molecular Mass
416.38Cite this Page
Spiraein. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=14907-56-3 (retrieved ) (CAS RN: 14907-56-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C18H24O11/c19-5-8-3-1-2-4-10(8)28-18-16(25)14(23)13(22)11(29-18)7-27-17-15(24)12(21)9(20)6-26-17/h1-5,9,11-18,20-25H,6-7H2/t9-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1
InChIKey
InChIKey=DSDFXGQRZAFFQA-ZCLRWAROSA-N
SMILES
O([C@@H]1O[C@H](CO[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)[C@@H](O)[C@H](O)[C@H]1O)C3=C(C=O)C=CC=C3
Canonical SMILES
O=CC=1C=CC=CC1OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O
Other Names for this Substance
- Benzaldehyde, 2-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]-
- Glucopyranoside, o-formylphenyl 6-O-β-D-xylopyranosyl, β-D
- 2-[(6-O-β-D-Xylopyranosyl-β-D-glucopyranosyl)oxy]benzaldehyde
- Spiraein (Filipendula)
- Spiraein