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Details

Stereochemistry ABSOLUTE
Molecular Formula C37H54O2
Molecular Weight 530.8235
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LUPEOL BENZOATE

SMILES

[H][C@]12[C@@H](CC[C@]1(C)CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CC[C@H](OC(=O)C6=CC=CC=C6)C(C)(C)[C@]5([H])CC[C@@]34C)C(C)=C

InChI

InChIKey=GGGPJWXHMZSCEW-WEZIXBNWSA-N
InChI=1S/C37H54O2/c1-24(2)26-16-19-34(5)22-23-36(7)27(31(26)34)14-15-29-35(6)20-18-30(39-32(38)25-12-10-9-11-13-25)33(3,4)28(35)17-21-37(29,36)8/h9-13,26-31H,1,14-23H2,2-8H3/t26-,27+,28-,29+,30-,31+,34+,35-,36+,37+/m0/s1

HIDE SMILES / InChI

Approval Year