Dolabellane analog-7 (Q27138291)

(3S,4S,7E,11alpha)-1beta,4,8-Trimethyl-12beta-(1-methylethenyl)-3,4-epoxybicyclo[9.3.0]tetradeca-7-ene-14-one (English)

(1R,3S,5S,12S,13S)-1,5,9-trimethyl-13-(prop-1-en-2-yl)-4-oxatricyclo[10.3.0.0³,⁵]pentadec-8-en-15-one

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

(1S,3R,5S,8E,12R,13S)-1,5,9-trimethyl-13-prop-1-en-2-yl-4-oxatricyclo[10.3.0.03,5]pentadec-8-en-15-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₂

1 reference

(3S,4S,7E,11alpha)-1beta,4,8-Trimethyl-12beta-(1-methylethenyl)-3,4-epoxybicyclo[9.3.0]tetradeca-7-ene-14-one (English)

7 October 2016

canonical SMILES

CC1=CCCC2(C(O2)CC3(C(CC1)C(CC3=O)C(=C)C)C)C

1 reference

(3S,4S,7E,11alpha)-1beta,4,8-Trimethyl-12beta-(1-methylethenyl)-3,4-epoxybicyclo[9.3.0]tetradeca-7-ene-14-one (English)

7 October 2016

isomeric SMILES

C/C/1=C\CC[C@]2([C@@H](O2)C[C@@]3([C@@H](CC1)[C@H](CC3=O)C(=C)C)C)C

1 reference

Dolabellanes with antibacterial activity from the brown alga Dilophus spiralis

(3S,4S,7E,11alpha)-1beta,4,8-Trimethyl-12beta-(1-methylethenyl)-3,4-epoxybicyclo[9.3.0]tetradeca-7-ene-14-one (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C20H30O2/c1-13(2)15-11-17(21)19(4)12-18-20(5,22-18)10-6-7-14(3)8-9-16(15)19/h7,15-16,18H,1,6,8-12H2,2-5H3/b14-7+/t15-,16+,18+,19-,20+/m1/s1

1 reference

(3S,4S,7E,11alpha)-1beta,4,8-Trimethyl-12beta-(1-methylethenyl)-3,4-epoxybicyclo[9.3.0]tetradeca-7-ene-14-one (English)

GUSAEAVUMKCIQK-KCAVMMMUSA-N

7 October 2016

InChIKey

2 references

(3S,4S,7E,11alpha)-1beta,4,8-Trimethyl-12beta-(1-methylethenyl)-3,4-epoxybicyclo[9.3.0]tetradeca-7-ene-14-one (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1aS,7aS,8S,10aR,11aS)-8-Isopropenyl-1a,5,10a-trimethyl-2,3,6,7,7a,8,9,10a,11,11a-decahydrocyclopenta[4,5]cycloundeca[1,2-b]oxiren-10(1aH)-one (English)

7 October 2016

2 references