Spinacetin 3-O-β-gentiobioside
CAS Registry Number®
101021-29-8
CAS Name
Spinacetin 3-O-β-gentiobiosideMolecular Formula
C29H34O18Molecular Mass
670.57Cite this Page
Spinacetin 3-O-β-gentiobioside. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=101021-29-8 (retrieved ) (CAS RN: 101021-29-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C29H34O18/c1-41-12-5-9(3-4-10(12)31)25-27(20(36)16-13(44-25)6-11(32)26(42-2)19(16)35)47-29-24(40)22(38)18(34)15(46-29)8-43-28-23(39)21(37)17(33)14(7-30)45-28/h3-6,14-15,17-18,21-24,28-35,37-40H,7-8H2,1-2H3/t14-,15-,17-,18-,21+,22+,23-,24-,28-,29+/m1/s1
InChIKey
InChIKey=ZZNVCZGRNCQHCQ-JZSCMRTJSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C(OC)=C(O)C2)C3=CC(OC)=C(O)C=C3)[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
Canonical SMILES
O=C1C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)=C(OC4=CC(O)=C(OC)C(O)=C14)C=5C=CC(O)=C(OC)C5
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-
- 3-[(6-O-β-D-Glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
- Spinacetin 3-O-β-gentiobioside