(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene (Q27138302)

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chemical compound

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

Language	Label	Description	Also known as
English	(1R,2E,4R,7E,10S,11S,12R)-10-acetoxy-18-hydroxy-2,7-dolabelladiene	chemical compound	[(1R,3aR,4E,6R,9E,12S,12aS)-1-(1-hydroxy-1-methyl-ethyl)-3a,6,10-trimethyl-2,3,6,7,8,11,12,12a-octahydro-1H-cyclopenta[11]annulen-12-yl] acetate

Statements

type of chemical entity

0 references

dolabellane diterpenoid

0 references

348.2664±0 dalton

1 reference

language of work or name

CHEMBL1689087 (English)

7 October 2016

stereoisomer of

[(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

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

language of work or name

(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

language of work or name

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

7 October 2016

Dictyota spiralis

1 reference

Dolabellanes with antibacterial activity from the brown alga Dilophus spiralis

Identifiers

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

language of work or name

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

7 October 2016

QPIUBKNTZMBLLI-ASFQSAAXSA-N

2 references

language of work or name

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

7 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

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

7 October 2016

1 reference

26 December 2021

mapping relation type

2 references

language of work or name

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

7 October 2016

matched by identifier from

International Chemical Identifier

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

language of work or name

CHEMBL1689087 (English)

7 October 2016

UniChem compound ID

1 reference

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