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p-57as3

Structure via PubChem · Public domain (PubChem)

EntityQ7117924· pop 6· linked from 3 articles

p-57as3

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chemical compound

In the Vinony graph

Vinony's link graph records 3 inbound references to p-57as3, and connects out to neuroactive steroid, neuron and digital object identifier.

It sits within the topics Anorectics, Chembox image size set and Steroidal glycosides.

Vinony links it to 6 Wikipedia language editions.

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 Å²
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)

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Categories

Anorectics Chembox image size set Steroidal glycosides