(Q105147629)

English

(1R,4S,6S,7R,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-4,11-dihydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one

chemical compound

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instance of

type of chemical entity

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subclass of

7-[2-(Furan-3-yl)-2-hydroxyethyl]-4,11-dihydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

O=C1OCC23C(=CC(O)CC2C1(CC(O)C4=COC=C4)C(C)CC3O)CO

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isomeric SMILES

C[C@@H]1C[C@@H](O)[C@]23COC(=O)[C@@]1(C[C@H](O)c1ccoc1)[C@H]2C[C@H](O)C=C3CO

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found in taxon

Teucrium salviastrum

1 reference

stated in

Neo-clerodane diterpenoids from Teucrium salviastrum

Identifiers

InChI

InChI=1S/C20H26O7/c1-11-4-17(24)20-10-27-18(25)19(11,7-15(23)12-2-3-26-9-12)16(20)6-14(22)5-13(20)8-21/h2-3,5,9,11,14-17,21-24H,4,6-8,10H2,1H3/t11-,14-,15+,16-,17-,19-,20+/m1/s1

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InChIKey

KYBHISHEMZVAQI-QPMVFHCKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KYBHISHEMZVAQI-QPMVFHCKSA-N

(Q105147629)

(1R,4S,6S,7R,11R,13R)-7-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]-4,11-dihydroxy-2-(hydroxymethyl)-13-methyl-9-oxatricyclo[5.3.3.01,6]tridec-2-en-8-one

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Identifiers

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