Wikidata

(Q104974496)

English

(2S,3R,4S,4aR,6aR,6bR,8aS,12aR,14aR,14bR)-2-hydroxy-6b-(hydroxymethyl)-4,6a,11,11,14b-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid

chemical compound

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No label defined

No description defined

Statements

mass
680.377177232 dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₆H₅₆O₁₂
0 references
canonical SMILES
O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C(=O)O)(C)C5CCC4(C)C3(CO)CC1
0 references
isomeric SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(CO)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]2C1
0 references

Identifiers

 
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