Summary

Molecular formula: C52H34O20
SMILES: OC1=C2C(=O)OC(C1)[C@@H]1[C@H](Oc3c1c(=O)oc(c3)/C=C/c1cc(O)c(cc1c1c(cc([C@H]3c4c(=O)oc(/C=C/c5c2cc(O)c(c5)O)cc4O[C@@H]3c2ccc(c(c2)O)O)oc1=O)O)O)c1ccc(c(c1)O)O
InChI: InChI=1S/C52H34O20/c53-27-7-3-21(11-29(27)55)47-43-40-18-36(62)42(50(64)72-40)26-16-34(60)32(58)10-20(26)2-6-24-14-38-46(52(66)68-24)44(48(70-38)22-4-8-28(54)30(56)12-22)39-17-35(61)41(49(63)71-39)25-15-33(59)31(57)9-19(25)1-5-23-13-37(69-47)45(43)51(65)67-23/h1-17,40,43-44,47-48,53-62H,18H2/b5-1+,6-2+/t40?,43-,44-,47+,48+/m0/s1
InChIKey: IKZVACVOIQCNEE-MNDJYHKVSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC2CC=C1c1ccccc1C=Cc1cc3c(c(=O)o1)C(c1ccc(c(=O)o1)-c1ccccc1C=Cc1cc4c(c(=O)o1)C2C(c1ccccc1)O4)C(c1ccccc1)O3

Scaffold Graph/Node level:
OC1OC2CCC1C1CCCCC1CCC1CC3OC(C4CCCCC4)C(C4CCC(C(O)O4)C4CCCCC4CCC4CC5OC(C6CCCCC6)C2C5C(O)O4)C3C(O)O1

Scaffold Graph level:
CC1CC2CCC1C1CCCCC1CCC1CC(C)C3C(C1)CC(C1CCCCC1)C3C1CCC(C(C)C1)C1CCCCC1CCC1CC(C)C3C(C1)CC(C1CCCCC1)C23

---

Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Phenols
Sub class: Benzenediols

---

Synonymous chemical names:
phelligridimer

---

Chemical structure download