Summary

Molecular formula: C29H32O9
SMILES: COc1cc(OC)c(c(c1C#C[C@]1(C)OC(=O)O[C@]1(C)C#Cc1c(OC)cc(c(c1C)OC)OC)C)OC
InChI: InChI=1S/C29H32O9/c1-17-19(21(31-5)15-23(33-7)25(17)35-9)11-13-28(3)29(4,38-27(30)37-28)14-12-20-18(2)26(36-10)24(34-8)16-22(20)32-6/h15-16H,1-10H3/t28-,29+
InChIKey: NJECTZSLZHQUFD-ISILISOKSA-N

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OC(C#Cc2ccccc2)C(C#Cc2ccccc2)O1

Scaffold Graph/Node level:
OC1OC(CCC2CCCCC2)C(CCC2CCCCC2)O1

Scaffold Graph level:
CC1CC(CCC2CCCCC2)C(CCC2CCCCC2)C1

---

Chemical classification

Kingdom: Organic compounds
Super class: Benzenoids
Class: Phenol ethers
Sub class: Anisoles

---

Synonymous chemical names:
antrodioxolanone

---

External chemical identifiers:
CID_16737472; NPATLAS_NPA017885; CHEMSPIDER_20568907; ZINC_ZINC000018099362

---

Chemical structure download