5-Demethylsimmondsin 2a(2)-trans-ferulate

Modify Date: 2025-09-27 21:36:45

5-Demethylsimmondsin 2a(2)-trans-ferulate Structure
5-Demethylsimmondsin 2a(2)-trans-ferulate structure
Common Name 5-Demethylsimmondsin 2a(2)-trans-ferulate
CAS Number 162290-38-2 Molecular Weight 537.5
Density N/A Boiling Point N/A
Molecular Formula C25H31NO12 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 5-Demethylsimmondsin 2a(2)-trans-ferulate

 Chemical & Physical Properties

Molecular Formula C25H31NO12
Molecular Weight 537.5
InChIKey KZBHGKPXLHDZDW-ORRFLJAUSA-N
SMILES COc1cc(C=CC(=O)OC2C(OC3CC(O)C(OC)C(O)C3=CC#N)OC(CO)C(O)C2O)ccc1O
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