(Q104250872)

English

(2S,5R,8R,10R,11S,14R,18R,20R)-2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one

group of stereoisomers with the chemical formula C₂₀H₂₆O₅

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instance of

group of stereoisomers

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1 reference

346.178023932 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

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canonical SMILES

O=C1C(=C)C2CCC3C1(C2O)C4OC5OCC6(C)CCC(O)C53C6C4

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isomeric SMILES

C=C1C(=O)[C@@]23C(CC[C@H]1[C@H]2O)C12[C@@H](O)CC[C@@]4(C)CO[C@@H]1O[C@@H]3C[C@@H]24

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found in taxon

Isodon serra

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stated in

Crystal and molecular structure of bicuculline

Identifiers

InChI

InChI=1S/C20H26O5/c1-9-10-3-4-11-19-12-7-14(20(11,15(9)22)16(10)23)25-17(19)24-8-18(12,2)6-5-13(19)21/h10-14,16-17,21,23H,1,3-8H2,2H3/t10-,11?,12-,13+,14-,16-,17-,18+,19?,20+/m1/s1

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InChIKey

MOBGVVQDJSDAER-MLIMXJGBSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

MOBGVVQDJSDAER-MLIMXJGBSA-N

1 reference

(Q104250872)

(2S,5R,8R,10R,11S,14R,18R,20R)-2,20-dihydroxy-5-methyl-13-methylidene-7,9-dioxahexacyclo[8.7.2.111,14.01,8.05,18.011,17]icosan-12-one

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Identifiers

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