(Q113960081)

English

methyl (1S,4aR,6S,7S,11bS)-1,4a,6-trihydroxy-4,4,11b-trimethyl-1H,2H,3H,5H,6H,6aH,7H,11H,11aH-phenanthro[3,2-b]furan-7-carboxylate

group of stereoisomers with the chemical formula C₂₁H₃₀O₆

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Statements

group of stereoisomers

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chemical compound

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378.20423868 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₀O₆

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canonical SMILES

O=C(OC)C1C=2C=COC2CC3C1C(O)CC4(O)C(C)(C)CCC(O)C34C

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isomeric SMILES

COC(=O)[C@@H]1c2ccoc2CC2C1[C@@H](O)C[C@@]1(O)C(C)(C)CC[C@H](O)[C@]21C

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Caesalpinia minax

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Anti-inflammation furanoditerpenoids from Caesalpinia minax Hance

Identifiers

InChI=1S/C21H30O6/c1-19(2)7-5-15(23)20(3)12-9-14-11(6-8-27-14)16(18(24)26-4)17(12)13(22)10-21(19,20)25/h6,8,12-13,15-17,22-23,25H,5,7,9-10H2,1-4H3/t12?,13-,15-,16+,17?,20-,21+/m0/s1

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OOUAFSXMWSCEGT-METSPQSUSA-N

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