(Q27135127)

Spiculoic acid A (English)

7 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₆O₃

1 reference

Spiculoic acid A (English)

7 October 2016

canonical SMILES

CCC1C2C(C(C1=O)C)C(=CC(C2(CC)C(=O)O)(CC)C=CC3=CC=CC=C3)CC

1 reference

Spiculoic acid A (English)

7 October 2016

isomeric SMILES

CC[C@@H]1[C@@H]2[C@@H]([C@H](C1=O)C)C(=C[C@@]([C@@]2(CC)C(=O)O)(CC)/C=C/C3=CC=CC=C3)CC

1 reference

Spiculoic acid A (English)

Plakortis angulospiculatus

7 October 2016

found in taxon

1 reference

stated in

Spiculoic acids A and B, new polyketides isolated from the Caribbean marine sponge Plakortis angulospiculatus

Identifiers

InChI

InChI=1S/C27H36O3/c1-6-20-17-26(8-3,16-15-19-13-11-10-12-14-19)27(9-4,25(29)30)23-21(7-2)24(28)18(5)22(20)23/h10-18,21-23H,6-9H2,1-5H3,(H,29,30)/b16-15+/t18-,21-,22+,23-,26-,27-/m1/s1

1 reference

Spiculoic acid A (English)

ALLQJQBDLUMIQH-UOVLAWSHSA-N

7 October 2016

InChIKey

2 references

Spiculoic acid A (English)

7 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

(1R,3R,3aS,4S,5R,7aS)-3,4,5,7-Tetraethyl-1-methyl-2-oxo-5-[(E)-2-phenylvinyl]-2,3,3a,4,5,7a-hexahydro-1H-indene-4-carboxylic acid (English)

7 October 2016

1 reference

Spiculoic acid A (English)

7 October 2016

Reaxys registry number

9666648

1 reference

spiculoic acid A (English)

7 October 2016

ChEBI ID

66520

mapping relation type

1 reference