(Q105147515)

English

methyl 2-[5-hydroxy-2-[(3S,6E,11S,13S)-13-hydroxy-3,7,11,15-tetramethyl-12-oxohexadeca-1,6,14-trien-3-yl]oxyphenyl]acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

1 reference

486.298139064 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 2-[5-hydroxy-2-[(3S,6E,11R,13R)-13-hydroxy-3,7,11,15-tetramethyl-12-oxohexadeca-1,6,14-trien-3-yl]oxyphenyl]acetate

1 reference

based on heuristic

inferred from InChI

methyl 2-[5-hydroxy-2-[(3R,11R,13S)-13-hydroxy-3,7,11,15-tetramethyl-12-oxohexadeca-1,6,14-trien-3-yl]oxyphenyl]acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₂O₆

0 references

canonical SMILES

O=C(OC)CC1=CC(O)=CC=C1OC(C=C)(C)CCC=C(C)CCCC(C(=O)C(O)C=C(C)C)C

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isomeric SMILES

C=C[C@](C)(CC/C=C(\C)CCC[C@H](C)C(=O)[C@@H](O)C=C(C)C)Oc1ccc(O)cc1CC(=O)OC

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found in taxon

Sargassum autumnale

1 reference

stated in

Nahocols and isonahocols, endothelin antagonists from the brown alga, Sargassum autumnale

Sargassum siliquastrum

1 reference

stated in

Meroditerpenoids from the brown alga Sargassum siliquastrum

Identifiers

InChI

InChI=1S/C29H42O6/c1-8-29(6,35-26-15-14-24(30)18-23(26)19-27(32)34-7)16-10-12-21(4)11-9-13-22(5)28(33)25(31)17-20(2)3/h8,12,14-15,17-18,22,25,30-31H,1,9-11,13,16,19H2,2-7H3/b21-12+/t22-,25-,29+/m0/s1

0 references

InChIKey

KXTOXZSIGCDGHF-IJWWXJNISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KXTOXZSIGCDGHF-IJWWXJNISA-N

(Q105147515)

methyl 2-[5-hydroxy-2-[(3S,6E,11S,13S)-13-hydroxy-3,7,11,15-tetramethyl-12-oxohexadeca-1,6,14-trien-3-yl]oxyphenyl]acetate

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