Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C50H84O21
- Molecular weight
- 1021.2 g/mol
- IUPAC name
- [(1S,3R,4S,5S,6R,8S,10R,11S,12S,13R,15R,17S,29R,30S,31S,33R)-30-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-methyl-5-[(E)-2-methylbut-2-enoyl]oxyoxan-2-yl]oxy-4,5,11,12-tetrahydroxy-6-(hydroxymethyl)-13,31-dimethyl-27-oxo-17-pentyl-2,7,9,14,16,28,32-heptaoxatetracyclo[27.3.1.03,8.010,15]tritriacontan-33-yl] (2S)-2-methylbutanoate
- SMILES
- CCCCC[C@H]1CCCCCCCCCC(=O)O[C@@H]2[C@H]([C@@H](O[C@H]([C@@H]2OC(=O)[C@@H](C)CC)O[C@@H]3[C@H]([C@@H]([C@H](O[C@H]3O[C@@H]4[C@H]([C@@H]([C@H](O[C@H]4O1)C)O)O)CO)O)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C)OC(=O)/C(=C/C)/C)O)O
- InChIKey
- DGRGOOVTCYVEDQ-GHYHFUIZSA-N
- XLogP
- 4.9
- Polar surface area
- 294 Ų
- H-bond donors
- 7
- H-bond acceptors
- 21
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 1020.550509708
Show 4 more facts
- canonical SMILES
- O=C(OC1C(O)C(O)C(OC1C)OC2C(OC3OC4C(OC(CO)C(O)C4O)OC5C(OC(CCCCC)CCCCCCCCCC(=O)OC2C3OC(=O)C(C)CC)OC(C)C(O)C5O)C)C(=CC)C
- isomeric SMILES
- C/C=C(\C)C(=O)O[C@@H]1[C@@H](C)O[C@@H](O[C@H]2[C@H](C)O[C@H]3O[C@H]4[C@@H](O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@@H]4[C@@H](O)[C@H](O)[C@@H](C)O[C@H]4O[C@@H](CCCCC)CCCCCCCCCC(=O)O[C@H]2[C@H]3OC(=O)[C@@H](C)CC)[C@H](O)[C@H]1O
- chemical formula
- C₅₀H₈₄O₂₁
- found in taxon
- Ipomoea orizabensis
Sources (2)
via Wikidata · CC0