(Q27166987)

(7S,8S)-8-{2-[(2R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate (English)

10 October 2016

chemical formula

C₂₅H₃₈O₅

0 references

canonical SMILES

CCC(C)(C)C(=O)OC1(CC(C)(C=C2C=CC(C)(C(CCC3(CC(CC(=O)O3)(O)[H])[H])(C21[H])[H])[H])[H])[H]

1 reference

2,2-dimethylbutanoic acid [(7S,8S)-8-[2-[(2R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester (English)

10 October 2016

isomeric SMILES

CCC(C)(C)C(=O)OC1(CC(C)(C=C2C=C[C@](C)([C@](CC[C@@]3(CC(CC(=O)O3)(O)[H])[H])(C21[H])[H])[H])[H])[H]

1 reference

2,2-dimethylbutanoic acid [(7S,8S)-8-[2-[(2R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester (English)

InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15?,16-,18?,19+,20-,21?,23?/m0/s1

10 October 2016

Identifiers

InChI

1 reference

2,2-dimethylbutanoic acid [(7S,8S)-8-[2-[(2R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester (English)

RYMZZMVNJRMUDD-FQNILSBVSA-N

10 October 2016

InChIKey

2 references

2,2-dimethylbutanoic acid [(7S,8S)-8-[2-[(2R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(7S,8S)-8-{2-[(2R)-4-Hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate (English)

10 October 2016

1 reference

26 December 2021

mapping relation type

1 reference