(Q105170263)

English

methyl (2S,4aS,6aR,9R,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

536.225761972 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (2S,4aS,6aR,9S,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₇H₃₆O₁₁

0 references

canonical SMILES

O=C(OC)C1=CC(OC2OC(CO)C(O)C(O)C2O)CC3C1(C)CCC4C(=O)OC(C5=COC=C5)CC43C

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isomeric SMILES

COC(=O)C1=C[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]12C

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found in taxon

Fibraurea tinctoria

1 reference

stated in

Furanoditerpene glucosides from Fibraurea tinctoria

Penianthus zenkeri

1 reference

stated in

Clerodane-type diterpenes and other constituents of Penianthus zenkeri

Identifiers

InChI

InChI=1S/C27H36O11/c1-26-6-4-15-24(33)37-17(13-5-7-35-12-13)10-27(15,2)19(26)9-14(8-16(26)23(32)34-3)36-25-22(31)21(30)20(29)18(11-28)38-25/h5,7-8,12,14-15,17-22,25,28-31H,4,6,9-11H2,1-3H3/t14-,15+,17-,18+,19+,20+,21-,22+,25-,26-,27+/m0/s1

0 references

InChIKey

MQTGQGFLTYWGDL-HXRUBWSASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MQTGQGFLTYWGDL-HXRUBWSASA-N

(Q105170263)

methyl (2S,4aS,6aR,9R,10aS,10bS)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-9-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,4a,5,6,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

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