CDDO Methyl Ester

About This Item

Molecular Formula	C₃₂H₄₃NO₄
CAS Number	218600-53-4

FC-0167888

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Properties

Chemical Identifiers

IUPAC Name	methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
SMILES	CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)OC)C
InChI Key	WPTTVJLTNAWYAO-KPOXMGGZSA-N
InChI	InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1

Physical Properties

Boiling Point	600.8±55.0 °C at 760 mmHg
Flash Point	256.5±21.7 °C
Density	1.2±0.1 g/cm3

Safety Information

Hazard Class

Warning

Flash Point

256.5±21.7 °C

Please refer to the Safety Data Sheet (SDS) for complete handling, storage, and disposal instructions. Follow all applicable regulations when working with this chemical reagent.