Primary Record
Holotoxin E
- In stock
- 550 g
- Purity
- 98.1 %
Compound Identifiers & Properties
- PubChem CID
- 102450451
- SMILES
- C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](CO[C@H]2O[C@H]3CC[C@@]4([C@H]5CC[C@]67[C@H](C(=O)C[C@]6(C5=CC[C@H]4C3(C)C)C)[C@](OC7=O)(C)CCCC(=C)C)C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OOC)O)O
- Canonical SMILES
- C=C(C)CCC[C@]1(C)OC(=O)[C@]23CC[C@H]4C(=CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O[C@@H]7OC[C@@H](O)[C@H](O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](OOC)[C@H]8O)[C@H]7O)[C@H](O)[C@H]6O)CC[C@]45C)[C@]2(C)CC(=O)[C@@H]31
Names & Synonyms
- Holotoxin E
- SCHEMBL30355268
- J3.088.196F
- (2S,5S,6S,9S,12R,13R,16S,18R)-16-{[(2S,3R,4S,5R)-3-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4S,5R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(methylperoxy)oxan-2-yl]oxy}-3,5-dihydroxyoxan-2-yl]oxy}-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxyoxan-2-yl]oxy}-2,6,13,17,17-pentamethyl-6-(4-methylpent-4-en-1-yl)-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-1(20)-ene-4,8-dione
- 3beta-[[2-O-[4-O-[3-O-(3-O-Methoxy-beta-D-glucopyranosyl)-beta-D-xylopyranosyl]-6-deoxy-beta-D-glucopyranosyl]-4-O-(3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)-beta-D-xylopyranosyl]oxy]-18,20-epoxylanosta-7,25-diene-16,18-dione