CAS Registry Number®
116183-66-5
CAS Name
Complanatuside
Molecular Formula
C28H32O16
Molecular Mass
624.54
Other Names and Identifiers
InChI
InChI=1S/C28H32O16/c1-39-12-6-13(31)17-14(7-12)41-25(26(20(17)34)44-28-24(38)22(36)19(33)16(9-30)43-28)10-2-4-11(5-3-10)40-27-23(37)21(35)18(32)15(8-29)42-27/h2-7,15-16,18-19,21-24,27-33,35-38H,8-9H2,1H3/t15-,16-,18-,19-,21+,22+,23-,24-,27-,28+/m1/s1
InChIKey
InChIKey=KKPKUPKKMALLKG-QDYVESOYSA-N
SMILES
O(C1=C(OC=2C(C1=O)=C(O)C=C(OC)C2)C3=CC=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C3)[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O
Canonical SMILES
O=C1C(OC2OC(CO)C(O)C(O)C2O)=C(OC3=CC(OC)=CC(O)=C13)C=4C=CC(OC5OC(CO)C(O)C(O)C5O)=CC4
Other Names for this Substance
- 4H-1-Benzopyran-4-one, 3-(β-D-glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-
- 3-(β-D-Glucopyranosyloxy)-2-[4-(β-D-glucopyranosyloxy)phenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
- Complanatuside
