rel-(+)-(10R)-cembra-1Z,3Z,7E,11Z,15-pentaen-20,10-olide (Q27137225)

CHEBI:68869 (English)

(4E,6E,10E,13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one

7 October 2016

stereoisomer of

2 references

inferred from InChIKey

rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide

inferred from InChI

2 references

inferred from InChIKey

(13S)-7,11-dimethyl-4-prop-1-en-2-yl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₂₀H₂₆O₂

1 reference

CHEBI:68869 (English)

7 October 2016

canonical SMILES

CC1=CC=C(CCC2=CC(CC(=CCC1)C)OC2=O)C(=C)C

1 reference

CHEBI:68869 (English)

7 October 2016

isomeric SMILES

C/C/1=C/C=C(/CCC2=C[C@@H](C/C(=C/CC1)/C)OC2=O)\C(=C)C

1 reference

CHEBI:68869 (English)

InChI=1S/C20H26O2/c1-14(2)17-9-8-15(3)6-5-7-16(4)12-19-13-18(11-10-17)20(21)22-19/h7-9,13,19H,1,5-6,10-12H2,2-4H3/b15-8-,16-7+,17-9-/t19-/m1/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:68869 (English)

KGUUUDYKWYRRMZ-VIQXUYFPSA-N

7 October 2016

InChIKey

2 references

CHEBI:68869 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(4Z,6Z,10E,13R)-4-Isopropenyl-7,11-dimethyl-14-oxabicyclo[11.2.1]hexadeca-1(16),4,6,10-tetraen-15-one (English)

7 October 2016

2 references

CHEBI:68869 (English)

matched by identifier from

7 October 2016

InChIKey

KGUUUDYKWYRRMZ-VIQXUYFPSA-N

ChEBI ID

68869

mapping relation type

2 references

rel-(+)-(10R)-cembra-1Z,3Z,7E,11Z,15-pentaen-20,10-olide (English)