(Q104907820)

English

(3S,3aR,4R,6Z,10E,11aR)-4-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

266.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,3aR,4S,6E,10E,11aR)-4-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₄

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canonical SMILES

O=C1OC2C=C(C)CCC=C(CO)CC(O)C2C1C

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isomeric SMILES

C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@H](O)C/C(CO)=C/CC1

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found in taxon

Blainvillea acmella

2 references

stated in

Acanthospermolides and other constituents from Blainvillea acmella

stated in

A further steiractinolide derivative from Spilanthes leiocarpa

Spilanthes acmella

2 references

stated in

Acanthospermolides and other constituents from Blainvillea acmella

stated in

A further steiractinolide derivative from Spilanthes leiocarpa

Identifiers

InChI

InChI=1S/C15H22O4/c1-9-4-3-5-11(8-16)7-12(17)14-10(2)15(18)19-13(14)6-9/h5-6,10,12-14,16-17H,3-4,7-8H2,1-2H3/b9-6+,11-5-/t10-,12+,13+,14+/m0/s1

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InChIKey

AACJDWCUEJRPLO-UFRLAGGVSA-N

0 references

2 references

26 December 2021

matched by identifier from

InChIKey

AACJDWCUEJRPLO-UFRLAGGVSA-N

1 reference

(Q104907820)

(3S,3aR,4R,6Z,10E,11aR)-4-hydroxy-6-(hydroxymethyl)-3,10-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one

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