(Q105223798)

English

[(1S,2R,4S,5R,6S,9S,10S,11S,12S,13R)-2-acetyloxy-11,12-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-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

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mass

438.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₀O₉

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canonical SMILES

O=C(OC1CC(OC(=O)C)(C)C23OC3C(O)C(O)(C)C2C4OC(=O)C(C)C14)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(OC(C)=O)[C@@]23O[C@@H]2[C@H](O)[C@@](C)(O)[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/C22H30O9/c1-7-9(2)18(25)28-12-8-20(5,30-11(4)23)22-15(14-13(12)10(3)19(26)29-14)21(6,27)16(24)17(22)31-22/h7,10,12-17,24,27H,8H2,1-6H3/b9-7-/t10-,12-,13+,14-,15-,16-,17+,20+,21-,22-/m0/s1

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InChIKey

QLUMLFDCNGPCGF-RNRHJGKRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QLUMLFDCNGPCGF-RNRHJGKRSA-N

(Q105223798)

[(1S,2R,4S,5R,6S,9S,10S,11S,12S,13R)-2-acetyloxy-11,12-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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