CAS Registry Number®
114482-86-9
CAS Name
Baicalein 7-O-diglucoside
Molecular Formula
C27H30O15
Molecular Mass
594.52
Other Names and Identifiers
InChI
InChI=1S/C27H30O15/c28-8-15-19(31)22(34)24(36)26(41-15)38-9-16-20(32)23(35)25(37)27(42-16)40-14-7-13-17(21(33)18(14)30)11(29)6-12(39-13)10-4-2-1-3-5-10/h1-7,15-16,19-20,22-28,30-37H,8-9H2/t15-,16-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey
InChIKey=HAYLVXFWJCKKDW-IJTBWITGSA-N
SMILES
OC1=C2C(OC(=CC2=O)C3=CC=CC=C3)=CC(O[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)=C1O
Canonical SMILES
O=C1C=C(OC2=CC(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)=C(O)C(O)=C12)C=5C=CC=CC5
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 7-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,6-dihydroxy-2-phenyl-
- 7-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5,6-dihydroxy-2-phenyl-4H-1-benzopyran-4-one
- Baicalein 7-O-β-gentiobioside
- Baicalein 7-O-diglucoside
- Oroxin B
Deleted or Replaced CAS Registry Numbers
31584-11-9, 117141-33-0, 906320-96-5
