Phellavin
CAS Registry Number®
32507-67-8
CAS Name
PhellavinMolecular Formula
C26H32O12Molecular Mass
536.53Cite this Page
Phellavin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=32507-67-8 (retrieved ) (CAS RN: 32507-67-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C26H32O12/c1-26(2,35)8-7-13-14(37-25-23(34)21(32)19(30)16(10-27)38-25)9-15-17(18(13)29)20(31)22(33)24(36-15)11-3-5-12(28)6-4-11/h3-6,9,16,19,21-25,27-30,32-35H,7-8,10H2,1-2H3
InChIKey
InChIKey=YXACCHLOUSCDDR-UHFFFAOYSA-N
SMILES
OC1=C2C(=CC(OC3OC(CO)C(O)C(O)C3O)=C1CCC(C)(C)O)OC(C(O)C2=O)C4=CC=C(O)C=C4
Canonical SMILES
O=C1C=2C(O)=C(C(OC3OC(CO)C(O)C(O)C3O)=CC2OC(C4=CC=C(O)C=C4)C1O)CCC(O)(C)C
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-, (2R,3R)-
- 4H-1-Benzopyran-4-one, 7-(β-D-glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-, (2R-trans)-
- Phellavin
- (2R,3R)-7-(β-D-Glucopyranosyloxy)-2,3-dihydro-3,5-dihydroxy-6-(3-hydroxy-3-methylbutyl)-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one