CAS No. 113085-62-4

Molecular Formula: C21H28O5
Hazard Symbols: N
UN Number: UN 3077 9 / PGIII
WGKGermany: 3

Description:
7-O-Methylrosmanol is a natural diterpenoid compound found in several plants.

• Molecular Weight: 360.444
• Molecular Formula: C21H28O5

Purity: >97%

Canonical SMILES:
CC(C)C1=C(C(=C2C(=C1)C(C3C4C2(CCCC4(C)C)C(=O)O3)OC)O)O

InChI:
InChI=1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3/t16-,17+,18-,21-/m0/s1

InChIKey: XNPVHIQPSAZTLC-NYUBLWNDSA-N

• Boiling Point: 542.3±50.0 °C(Predicted)
• Appearance: Powder
• Storage: -20°C

Synonyms:
7alpha-Methoxyrosmanol; 7-Methylrosmanol

More details are to be found on supplier website