(Q105352623)

English

methyl (2S,4aS,8R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-8-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-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)-4a-hydroxy-10b-methyl-4-oxo-8-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

706.247285264 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (2S,4aR,8R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-8-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₄H₄₂O₁₆

0 references

canonical SMILES

O=C(OC)C1=C2CCC3(O)C(=O)OC(C4=COC=C4)CC3(C)C2CCC1OC5OC(COC(=O)C)C(OC(=O)C)C(OC(=O)C)C5OC(=O)C

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isomeric SMILES

COC(=O)C1=C2CC[C@@]3(O)C(=O)O[C@H](c4ccoc4)C[C@@]3(C)[C@@H]2CC[C@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O

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found in taxon

Tinospora cordifolia

1 reference

stated in

Norditerpene furan glycosides from Tinospora cordifolia

Identifiers

InChI

InChI=1S/C34H42O16/c1-16(35)44-15-25-27(45-17(2)36)28(46-18(3)37)29(47-19(4)38)31(49-25)48-23-8-7-22-21(26(23)30(39)42-6)9-11-34(41)32(40)50-24(13-33(22,34)5)20-10-12-43-14-20/h10,12,14,22-25,27-29,31,41H,7-9,11,13,15H2,1-6H3/t22-,23-,24+,25-,27-,28+,29-,31-,33+,34-/m1/s1

0 references

InChIKey

YQWMVXCSRQHQOE-RHQVYWEBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105352623)

methyl (2S,4aS,8R,10aR,10bS)-2-(furan-3-yl)-4a-hydroxy-10b-methyl-4-oxo-8-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-1,2,5,6,8,9,10,10a-octahydrobenzo[f]isochromene-7-carboxylate

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