(Q104962308)

English

(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(11E)-17-hydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),11,14(18),15-heptaenyl]oxy]oxane-3,4,5-triol

chemical compound

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instance of

type of chemical entity

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subclass of

2-[[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(17-hydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),11,14(18),15-heptaenyl)oxy]oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

634.262541404 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₂O₁₃

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canonical SMILES

OC1=CC=C2C=C1C3=CC(=C(OC4OC(COC5OC(CO)C(O)C5O)C(O)C(O)C4O)C(OC)=C3OC)CCCCC=CC2

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isomeric SMILES

COc1c2cc(c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](CO)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c1OC)CCCC/C=C/Cc1ccc(O)c-2c1

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found in taxon

Morella rubra

1 reference

stated in

Bioactive constituents of Chinese natural medicines. VII. Inhibitors of degranulation in RBL-2H3 cells and absolute stereostructures of three new diarylheptanoid glycosides from the bark of Myrica rubra

Myrica rubra

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stated in

Bioactive constituents of Chinese natural medicines. VII. Inhibitors of degranulation in RBL-2H3 cells and absolute stereostructures of three new diarylheptanoid glycosides from the bark of Myrica rubra

Identifiers

InChI

InChI=1S/C32H42O13/c1-40-29-19-13-17(9-7-5-3-4-6-8-16-10-11-20(34)18(19)12-16)28(30(29)41-2)45-32-27(39)25(37)24(36)22(44-32)15-42-31-26(38)23(35)21(14-33)43-31/h4,6,10-13,21-27,31-39H,3,5,7-9,14-15H2,1-2H3/b6-4+/t21-,22+,23-,24+,25-,26+,27+,31+,32-/m0/s1

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InChIKey

CKGPMQKYPJTHRX-OSERXLGNSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q104962308)

(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[[(11E)-17-hydroxy-3,4-dimethoxy-5-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),11,14(18),15-heptaenyl]oxy]oxane-3,4,5-triol

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