5,15-Diacetyl-3-Benzoyllathyrol

Catalog	BBC218916520
CAS	218916-52-0
Structure
Synonyms	Lathyrol-3,15-diacetate-5-benzoate
IUPAC Name	[(1R,3E,5R,7S,11R,12R,13S,14S)-1,11-diacetyloxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate
Molecular Weight	522.63
Molecular Formula	C31H38O7
Canonical SMILES	C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H](C(=C)CC[C@H]4[C@H](C4(C)C)/C=C(/C2=O)\C)OC(=O)C)OC(=O)C
InChI	InChI=1S/C31H38O7/c1-17-13-14-23-24(30(23,6)7)15-18(2)28(34)31(38-21(5)33)16-19(3)27(25(31)26(17)36-20(4)32)37-29(35)22-11-9-8-10-12-22/h8-12,15,19,23-27H,1,13-14,16H2,2-7H3/b18-15+/t19-,23-,24+,25-,26-,27-,31+/m0/s1
InChI Key	JPYYWXPAHJBKJX-VWSFRBHVSA-N
Boiling Point	595.5±50.0 °C
Purity	98%
Density	1.19 g/ml
Appearance	Powder