English
Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C47H74O15
- Molecular weight
- 879.1 g/mol
- IUPAC name
- [(3S,8R,9S,10R,12R,13S,14S,17S)-17-acetyl-3-[(2R,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-yl] (E)-2-methylbut-2-enoate
- SMILES
- C/C=C(\C)/C(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3[C@@]2(CC[C@@H](C3)O[C@H]4C[C@@H]([C@@H]([C@H](O4)C)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC)O)OC)OC)C)[C@@]7([C@]1([C@H](CC7)C(=O)C)C)O
- InChIKey
- CBMQKMMZBOSHHP-VXXSQTRDSA-N
- XLogP
- 3.5
- Polar surface area
- 187 Ų
- H-bond donors
- 3
- H-bond acceptors
- 15
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 878.503
Show 4 more facts
- chemical formula
- C₄₇H₇₄O₁₅
- found in taxon
- Hoodia gordonii
- isomeric SMILES
- C/C=C(\C)/C(=O)O[C@@H]1C[C@H]2[C@@H](CC=C3[C@@]2(CC[C@@H](C3)O[C@H]4C[C@@H]([C@@H]([C@H](O4)C)O[C@H]5C[C@@H]([C@@H]([C@H](O5)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C)O)OC)O)OC)OC)C)[C@@]7([C@]1([C@H](CC7)C(=O)C)C)O
- canonical SMILES
- CC=C(C)C(=O)OC1CC2C(CC=C3C2(CCC(C3)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)OC6C(C(C(C(O6)C)O)OC)O)OC)OC)C)C7(C1(C(CC7)C(=O)C)C)O
Sources (2)
via Wikidata · CC0