(Q27137223)

CHEBI:68867 (English)

(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

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

(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

2 references

inferred from InChIKey

(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

2 references

inferred from InChIKey

(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

1 reference

(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

1 reference

(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

1 reference

chemical formula

C₂₀H₃₀O₃

1 reference

CHEBI:68867 (English)

7 October 2016

canonical SMILES

CC1=CCCC(C=CC(CCC2=CC(C1)OC2=O)C(C)C)(C)O

1 reference

CHEBI:68867 (English)

7 October 2016

isomeric SMILES

C/C/1=C\CC[C@](/C=C/[C@H](CCC2=C[C@@H](C1)OC2=O)C(C)C)(C)O

1 reference

Cembranolides from the leaves of Croton gratissimus.

CHEBI:68867 (English)

7 October 2016

1 reference

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/b11-9+,15-6+/t16-,18+,20-/m0/s1

1 reference

CHEBI:68867 (English)

KLOZYZWTTNSEEN-IBKADNNNSA-N

7 October 2016

InChIKey

2 references

CHEBI:68867 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(4R,5E,7S,10E,13R)-7-Hydroxy-4-isopropyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),5,10-trien-15-one (English)

7 October 2016

2 references

CHEBI:68867 (English)

matched by identifier from

7 October 2016

InChIKey

KLOZYZWTTNSEEN-IBKADNNNSA-N

ChEBI ID

68867

mapping relation type

2 references

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

matched by identifier from

7 October 2016

International Chemical Identifier

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/b11-9+,15-6+/t16-,18+,20-/m0/s1

1 reference