Primary Record
Vescalagin
- In stock
- 598 g
- Purity
- 98.4 %
- CAS
- 36001-47-5
Compound Identifiers & Properties
- CAS
- 36001-47-5
- PubChem CID
- 3002102
- SMILES
- C1C2C(C3C4[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(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2[C@@H]1O
Names & Synonyms
- Vescalagin
- AC1MHE5B
- hexadecahydroxy[?]pentone
- CHEMBL288949
- BDBM50469587
- NSC297812
- CID3002102
- NSC 297812
- C41-H26-O26
- 36001-47-5
- (46S)-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