Primary Record
CHEMBL371629
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 21635797
- SMILES
- CC(=O)OC[C@@]12[C@H]([C@H](C[C@]([C@@]13[C@@H]([C@@H](C(=O)[C@H]2OC(=O)C4=CC=CC=C4)C(O3)(C)C)OC(=O)C)(C)O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
- Canonical SMILES
- CC(=O)OC[C@]12[C@H](OC(=O)c3ccccc3)C(=O)[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(=O)c1ccccc1
Names & Synonyms
- CHEMBL371629
- CHEMBL2373415
- UNXHKUBBGHPHHO-CCDDPICNSA-
- J1.246.785K
- (1R)-4abeta-(Acetoxymethyl)-8,10,10-trimethyl-3-oxo-8aalpha,2alpha-(epoxymethano)decalin-1alpha,4beta,5beta,6beta,8alpha-pentol 1-acetate 4,5,6-tribenzoate
- (1S,2S,4S,5R,6S,7S,9R,12R)-12-(acetyloxy)-6-[(acetyloxy)methyl]-4,7-bis(benzoyloxy)-2-hydroxy-2,10,10-trimethyl-8-oxo-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl benzoate
- InChI=1/C40H40O13/c1-23(41)48-22-39-31(51-35(45)26-17-11-7-12-18-26)28(50-34(44)25-15-9-6-10-16-25)21-38(5,47)40(39)32(49-24(2)42)29(37(3,4)53-40)30(43)33(39)52-36(46)27-19-13-8-14-20-27/h6-20,28-29,31-33,47H,21-22H2,1-5H3/t28-,29+,31-,32+,33+,38-,39-,40-