(3R,5R)-7-[(1S,2S,6S,8S,8aS)-6-hydroxy-2-methyl-8-[(2S)-2-methyl-1-oxobutoxy]-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid (Q27166392)

ZINC12496501 (English)

(3S,5S)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid

9 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

C₂₃H₃₆O₇

1 reference

ZINC12496501 (English)

9 October 2016

canonical SMILES

CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O

1 reference

ZINC12496501 (English)

9 October 2016

isomeric SMILES

CC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O

1 reference

ZINC12496501 (English)

InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22+/m0/s1

9 October 2016

Identifiers

InChI

1 reference

ZINC12496501 (English)

TUZYXOIXSAXUGO-SDYRHPPTSA-N

9 October 2016

InChIKey

2 references

ZINC12496501 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

ZINC12496501 (English)

9 October 2016

ChEBI ID

94554

mapping relation type

1 reference