CAS Registry Number®
28978-02-1
CAS Name
Pectolinarin
Molecular Formula
C29H34O15
Molecular Mass
622.57
Other Names and Identifiers
InChI
InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)43-17-9-16-19(22(33)27(17)39-3)14(30)8-15(42-16)12-4-6-13(38-2)7-5-12/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18+,20-,21+,23+,24-,25+,26+,28+,29+/m0/s1
InChIKey
InChIKey=DUXQKCCELUKXOE-CBBZIXHGSA-N
SMILES
OC1=C2C(=CC(O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@@H](O)[C@H](O)[C@H]3O)=C1OC)OC(=CC2=O)C5=CC=C(OC)C=C5
Canonical SMILES
O=C1C=C(OC=2C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(OC)=C(O)C12)C=5C=CC(OC)=CC5
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-
- Pectolinaroside
- Pectolinarin
- 7-[[6-O-(6-Deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Deleted or Replaced CAS Registry Numbers
134-33-8
