Gein
CAS Registry Number®
585-90-0
No image available.
CAS Name
GeinMolecular Formula
C21H30O11Molecular Mass
458.46Cite this Page
Gein. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?ref=585-90-0 (retrieved ) (CAS RN: 585-90-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H30O11/c1-3-4-10-5-6-12(13(7-10)28-2)31-21-19(27)17(25)16(24)14(32-21)9-30-20-18(26)15(23)11(22)8-29-20/h3,5-7,11,14-27H,1,4,8-9H2,2H3/t11-,14+,15-,16+,17-,18+,19+,20-,21+/m0/s1
InChIKey
InChIKey=FSCNUJMKSQHQSY-KJYATZHYSA-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(OC)C=C(CC=C)C=C3
Canonical SMILES
OC1COC(OCC2OC(OC3=CC=C(C=C3OC)CC=C)C(O)C(O)C2O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranoside, 2-methoxy-4-(2-propen-1-yl)phenyl 6-O-α-L-arabinopyranosyl-
- Gein
- Geoside
- β-D-Glucopyranoside, 2-methoxy-4-(2-propenyl)phenyl 6-O-α-L-arabinopyranosyl-
- 2-Methoxy-4-(2-propen-1-yl)phenyl 6-O-α-L-arabinopyranosyl-β-D-glucopyranoside
