(Q105003556)

English

(1S,3S,4R,5Z,7S,9R)-9-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-enylidene)-2,8-dioxatricyclo[5.3.0.01,3]decan-4-ol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(3S,4R,5Z,7S,9R)-9-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-en-1-ylidene)-2,8-dioxatricyclo[5.3.0.0¹,³]decan-4-ol

1 reference

based on heuristic

inferred from SMILES

9-(2-Hydroxypropan-2-yl)-5-(3-methylbut-2-enylidene)-2,8-dioxatricyclo[5.3.0.01,3]decan-4-ol

1 reference

based on heuristic

inferred from SMILES

mass

280.167459248 dalton

1 reference

1 reference

1 reference

C₁₆H₂₄O₄

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canonical SMILES

OC1C(=CC=C(C)C)CC2OC(CC32OC13)C(O)(C)C

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isomeric SMILES

CC(C)=C/C=C1/C[C@@H]2O[C@@H](C(C)(C)O)C[C@]23O[C@H]3[C@@H]1O

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found in taxon

Pestalotiopsis theae

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stated in

Pestalotheols A−D, Bioactive Metabolites from the Plant Endophytic FungusPestalotiopsis theae

Pseudopestalotiopsis theae

1 reference

stated in

Pestalotheols A−D, Bioactive Metabolites from the Plant Endophytic FungusPestalotiopsis theae

Identifiers

InChI

InChI=1S/C16H24O4/c1-9(2)5-6-10-7-11-16(14(20-16)13(10)17)8-12(19-11)15(3,4)18/h5-6,11-14,17-18H,7-8H2,1-4H3/b10-6-/t11-,12+,13+,14-,16-/m0/s1

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InChIKey

FWSQMPDAXKALDF-CZCSQLEPSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FWSQMPDAXKALDF-CZCSQLEPSA-N

(Q105003556)

(1S,3S,4R,5Z,7S,9R)-9-(2-hydroxypropan-2-yl)-5-(3-methylbut-2-enylidene)-2,8-dioxatricyclo[5.3.0.01,3]decan-4-ol

Statements

Identifiers

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