(Q105003655)

English

[(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] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

0 references

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(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] (Z)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₇

0 references

canonical SMILES

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

0 references

isomeric SMILES

C/C=C(/C)C(=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

0 references

found in taxon

Otanthus maritimus

1 reference

stated in

Highly oxygenated guaianolides from Otanthus maritimus

Identifiers

InChI

InChI=1S/C20H26O7/c1-6-8(2)16(21)24-10-7-18(4,23)20-13(12-11(10)9(3)17(22)25-12)19(5)14(26-19)15(20)27-20/h6,9-15,23H,7H2,1-5H3/b8-6-/t9-,10-,11+,12-,13-,14+,15-,18+,19-,20+/m0/s1

0 references

InChIKey

FWWNLOWYXNKFGQ-WVKRDBPSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FWWNLOWYXNKFGQ-WVKRDBPSSA-N

(Q105003655)

[(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] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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