(Q105142734)

English

(4S,7R,13S)-7-hydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cembrane

0 references

mass

318.21949482 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4S,5E,7S,10E,13S)-7-hydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4S,7S,13S)-7-hydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4R,5E,7S,13R)-7-hydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one

1 reference

based on heuristic

inferred from InChI

(4R,7S,13S)-7-hydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one

1 reference

based on heuristic

inferred from InChI

rel-(+)-(1R,4S,10R)-4-hydroxycembra-2E,7E,11Z-trien-20,10-olide

1 reference

based on heuristic

inferred from InChI

(4S,5E,7R,10E,13S)-7-hydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₃

0 references

canonical SMILES

O=C1OC2C=C1CCC(C=CC(O)(C)CCC=C(C)C2)C(C)C

0 references

isomeric SMILES

CC1=CCC[C@@](C)(O)C=C[C@H](C(C)C)CCC2=C[C@H](C1)OC2=O

0 references

found in taxon

Croton gratissimus

2 references

stated in

Cembranolides from the leaves of Croton gratissimus.

stated in

Cembranolides from the stem bark of the southern African medicinal plant, Croton gratissimus (Euphorbiaceae)

Identifiers

InChI

InChI=1S/C20H30O3/c1-14(2)16-7-8-17-13-18(23-19(17)21)12-15(3)6-5-10-20(4,22)11-9-16/h6,9,11,13-14,16,18,22H,5,7-8,10,12H2,1-4H3/t16-,18+,20-/m1/s1

0 references

InChIKey

KLOZYZWTTNSEEN-IMFGXOCKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KLOZYZWTTNSEEN-IMFGXOCKSA-N

(Q105142734)

(4S,7R,13S)-7-hydroxy-7,11-dimethyl-4-propan-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one

Statements

Identifiers

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