3-O-Methyltirotundin

CAS	1021945-29-8
Structure
Synonyms	Propanoic acid, 2-methyl-, (3aS,4R,6S,9S,10S,11aR)-dodecahydro-9-methoxy-6,10-dimethyl-3-methylene-2-oxo-6,9-epoxycyclodeca[b]furan-4-yl ester
IUPAC Name	[(1S,2S,4R,8S,9R,11R)-1-methoxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate
Molecular Weight	366.45
Molecular Formula	C20H30O6
Canonical SMILES	C[C@H]1C[C@@H]2[C@@H]([C@@H](C[C@]3(CC[C@@]1(O3)OC)C)OC(=O)C(C)C)C(=C)C(=O)O2
InChI	InChI=1S/C20H30O6/c1-11(2)17(21)25-15-10-19(5)7-8-20(23-6,26-19)12(3)9-14-16(15)13(4)18(22)24-14/h11-12,14-16H,4,7-10H2,1-3,5-6H3/t12-,14+,15+,16-,19+,20-/m0/s1
InChI Key	SOLCYTMIFQPNDN-IZEBJNRDSA-N
Boiling Point	474.5±45.0 °C
Flash Point	205.6±28.8 °C
Purity	98%
Density	1.15±0.1 g/ml
Refractive Index	1.51
Appearance	Solid