Primary Record
Isobaccharol
- In stock
- 5,805 g
- Purity
- 98.9 %
- CAS
- 71748-64-6
Compound Identifiers & Properties
- CAS
- 71748-64-6
- PubChem CID
- 46883114
- SMILES
- C[C@H]1CC(=O)OC[C@]23C[C@H](C(=C[C@H]2O[C@@H]4C[C@H]([C@]3([C@]45CO5)C)OC(=O)/C=C\C=C\[C@@H](OC[C@@H]1O)[C@H](C)O)C)O
- Canonical SMILES
- CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@H]([C@H](C)O)OC[C@H](O)[C@@H](C)CC(=O)OC[C@@]2(C[C@H]1O)[C@]4(C)[C@]31CO1
Names & Synonyms
- Isobaccharol
- Baccharin B2
- Baccharinoid B 2
- UNII-J5315QE66D
- J5315QE66D
- CHEMBL1079020
- DTXSID30420010
- NSC269754
- 71748-64-6
- Verrucarin A, 7'-deoxo-2'-deoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)-, (4'R,7'R(S),8R)-
- (1R,3R,6S,8R,17S,18Z,20Z,24R,25S,26S)-6,14-dihydroxy-17-[(1R)-1-hydroxyethyl]-5,13,25-trimethylspiro[2,10,16,23-tetraoxatetracyclo[22.2.1.03,8.08,25]heptacosa-4,18,20-triene-26,2'-oxirane]-11,22-dione
- (2'S,5S,6R,9R,10E,12Z,16R,16aS,18R,19aR,22R,23aR)-6,22-Dihydroxy-9-[(1S)-1-hydroxyethyl]-5,16a,21-trimethyl-4,5,6,7,16,16a,22,23-octahydro-1H,3H,18H,19aH-spiro[16,18-methano[1,6,12]trioxacyclooctadecino[3,4-d][1]benzopyran-17,2'-oxirane]-3,14(9H)-dione