Primary Record
Vescalagin
- In stock
- 598 g
- Purity
- 98.4 %
- CAS
- 36001-47-5
Compound Identifiers & Properties
- CAS
- 36001-47-5
- PubChem CID
- 5458626
- SMILES
- C1C2[C@H](C3[C@H]4[C@@H](C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
- Canonical SMILES
- O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC([C@@H]2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)[C@@H]1OC(=O)c2c-4c(O)c(O)c(O)c2[C@H]1O
Names & Synonyms
- Vescalagin
- Castalagin
- orb1991759
- SCHEMBL12477889
- NSC297812
- AKOS040734998
- CID5458626
- NSC 297812
- C41-H26-O26
- (2R,42R,46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37,46-Hexadecahydroxy-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone
- 36001-47-5