(Q105245460)

English

7-[(2E,6Z)-3,7-dimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyocta-2,6-dienoxy]-6-methoxychromen-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

7-[3,7-Dimethyl-8-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxyocta-2,6-dienoxy]-6-methoxychromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

652.273106088 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7-[(2E,6Z)-3,7-dimethyl-8-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyocta-2,6-dienoxy]-6-methoxychromen-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₄O₁₄

0 references

canonical SMILES

O=C1OC=2C=C(OCC=C(C)CCC=C(C)COC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C(OC)=CC2C=C1

0 references

isomeric SMILES

COc1cc2ccc(=O)oc2cc1OC/C=C(\C)CC/C=C(/C)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Coptis trifolia

1 reference

stated in

Coumarin derivatives in Coptis trifolia

Identifiers

InChI

InChI=1S/C32H44O14/c1-16(10-11-41-22-13-20-19(12-21(22)40-4)8-9-24(33)45-20)6-5-7-17(2)14-42-32-30(39)28(37)26(35)23(46-32)15-43-31-29(38)27(36)25(34)18(3)44-31/h7-10,12-13,18,23,25-32,34-39H,5-6,11,14-15H2,1-4H3/b16-10+,17-7-/t18-,23+,25-,26+,27+,28-,29+,30+,31+,32+/m0/s1

0 references

InChIKey

RTWCTRFVACGXAD-FUEGPVBASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RTWCTRFVACGXAD-FUEGPVBASA-N

(Q105245460)

7-[(2E,6Z)-3,7-dimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxyocta-2,6-dienoxy]-6-methoxychromen-2-one

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