(Q27138302)

CHEMBL1689087 (English)

[(1R,3aR,4E,6S,9E,12S,12aS)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-yl] acetate

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,3aS,4E,6R,9E,12R,12aR)-1-(2-hydroxypropan-2-yl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₆O₃

0 references

canonical SMILES

CC1(CCC(=C(C)CC(C2(C(CCC2(C)C(=C1[H])[H])(C(C)(C)O)[H])[H])(OC(C)=O)[H])[H])[H]

1 reference

(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene (English)

7 October 2016

isomeric SMILES

C[C@@]\1(CC\C(=C(/C)\C[C@@]([C@]2([C@@](CC[C@]2(C)/C(=C1\[H])/[H])(C(C)(C)O)[H])[H])(OC(C)=O)[H])\[H])[H]

1 reference

Dolabellanes with antibacterial activity from the brown alga Dilophus spiralis

(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene (English)

7 October 2016

1 reference

Identifiers

InChI

InChI=1S/C22H36O3/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)24)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18-,19+,20-,22+/m1/s1

1 reference

(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene (English)

QPIUBKNTZMBLLI-ASFQSAAXSA-N

7 October 2016

InChIKey

2 references

(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

10-acetoxy-18-hydroxy-2,7-dollabelladien (English)

7 October 2016

1 reference

26 December 2021

mapping relation type

2 references

(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C22H36O3/c1-15-8-7-9-16(2)14-19(25-17(3)23)20-18(21(4,5)24)11-13-22(20,6)12-10-15/h9-10,12,15,18-20,24H,7-8,11,13-14H2,1-6H3/b12-10+,16-9+/t15-,18-,19+,20-,22+/m1/s1

1 reference