(Q105314120)

English

[(1S,2R,4S,5R,6S,9S,10S,11R,13S,14R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-4-yl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

380.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2R,4S,5R,6S,9S,10S,11S,13R,14S)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-4-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₇

0 references

canonical SMILES

O=C(OC1CC(O)(C)C23OC3C4OC4(C)C2C5OC(=O)C(C)C15)CC(C)C

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isomeric SMILES

CC(C)CC(=O)O[C@H]1C[C@@](C)(O)[C@@]23O[C@@H]2[C@@H]2O[C@]2(C)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12

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found in taxon

Otanthus maritimus

1 reference

stated in

Highly oxygenated guaianolides from Otanthus maritimus

Identifiers

InChI

InChI=1S/C20H28O7/c1-8(2)6-11(21)24-10-7-18(4,23)20-14(13-12(10)9(3)17(22)25-13)19(5)15(26-19)16(20)27-20/h8-10,12-16,23H,6-7H2,1-5H3/t9-,10-,12+,13-,14-,15-,16+,18+,19+,20-/m0/s1

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InChIKey

WWKOGILFMXZKMI-CUIVXLOWSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105314120)

[(1S,2R,4S,5R,6S,9S,10S,11R,13S,14R)-2-hydroxy-2,6,11-trimethyl-7-oxo-8,12,15-trioxapentacyclo[8.5.0.01,14.05,9.011,13]pentadecan-4-yl] 3-methylbutanoate

Statements

Identifiers

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