(Q113960083)

English

methyl (1R,2S,4aR,5S,6R,7S,11bS)-2,5-bis(acetyloxy)-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 C₂₅H₃₄O₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

494.215197288 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₄O₁₀

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canonical SMILES

O=C(OC1CC(C)(C)C2(O)C(OC(=O)C)C(O)C3C(C(=O)OC)C=4C=COC4CC3C2(C)C1O)C

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isomeric SMILES

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

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found in taxon

Caesalpinia minax

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stated in

Anti-inflammation furanoditerpenoids from Caesalpinia minax Hance

Identifiers

InChI

InChI=1S/C25H34O10/c1-11(26)34-16-10-23(3,4)25(31)21(35-12(2)27)19(28)18-14(24(25,5)20(16)29)9-15-13(7-8-33-15)17(18)22(30)32-6/h7-8,14,16-21,28-29,31H,9-10H2,1-6H3/t14?,16-,17+,18?,19+,20-,21-,24-,25+/m0/s1

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InChIKey

KRTDSTYERVHJLI-OCEBMIAFSA-N

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(Q113960083)

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

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