Pinotin A
CAS Registry Number®
663910-41-6
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CAS Name
Pinotin AMolecular Formula
C31H29O14.ClCite this Page
Pinotin A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=663910-41-6 (retrieved ) (CAS RN: 663910-41-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C31H28O14.ClH/c1-40-21-6-13(7-22(41-2)25(21)36)29-30(45-31-28(39)27(38)26(37)23(11-32)44-31)15-10-18(12-3-4-16(34)17(35)5-12)42-19-8-14(33)9-20(43-29)24(15)19;/h3-10,23,26-28,31-32,37-39H,11H2,1-2H3,(H3-,33,34,35,36);1H/t23-,26-,27+,28-,31+;/m1./s1
InChIKey
InChIKey=CZTUKKPUAVNWRL-BDDKKZBGSA-N
SMILES
O(C=1C2=C3C(=[O+]C1C4=CC(OC)=C(O)C(OC)=C4)C=C(O)C=C3OC(=C2)C5=CC(O)=C(O)C=C5)[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O.[Cl-]
Canonical SMILES
[Cl-].OC=1C=C2OC(=CC3=C(OC4OC(CO)C(O)C(O)C4O)C(=[O+]C(C1)=C23)C=5C=C(OC)C(O)=C(OC)C5)C=6C=CC(O)=C(O)C6
Other Names for this Substance
- Pyrano[4,3,2-de]-1-benzopyrylium, 5-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride (1:1)
- Pyrano[4,3,2-de]-1-benzopyrylium, 5-(3,4-dihydroxyphenyl)-3-(β-D-glucopyranosyloxy)-8-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
- Pinotin A
