(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S)-6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid (Q27163635)

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chemical compound

Language	Label	Description	Also known as
English	(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S)-6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid	chemical compound

Statements

group of stereoisomers

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chemical compound

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424.246 dalton

1 reference

language of work or name

AC1O9ATU (English)

9 October 2016

chemical formula

C₂₃H₃₆O₇

1 reference

language of work or name

AC1O9ATU (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

language of work or name

AC1O9ATU (English)

9 October 2016

isomeric SMILES

CCC(C)C(=O)O[C@H]1C[C@@H](C=C2C1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O)O

1 reference

language of work or name

AC1O9ATU (English)

9 October 2016

Identifiers

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

1 reference

language of work or name

AC1O9ATU (English)

9 October 2016

TUZYXOIXSAXUGO-XYLZAPOUSA-N

2 references

language of work or name

AC1O9ATU (English)

9 October 2016

ChEBI release 2020-09-01

1 reference

language of work or name

(3R,5R)-3,5-Dihydroxy-7-{(1S,2S,6S,8S)-6-hydroxy-2-methyl-8-[(2-methylbutanoyl)oxy]-1,2,6,7,8,8a-hexahydro-1-naphthalenyl}heptanoic acid (English)

9 October 2016

2 references

language of work or name

AC1O9ATU (English)

9 October 2016

matched by identifier from

TUZYXOIXSAXUGO-XYLZAPOUSA-N

mapping relation type

2 references

language of work or name

(3R,5R)-3,5-dihydroxy-7-[(1S,2S,6S,8S)-6-hydroxy-2-methyl-8-(2-methyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]heptanoic acid (English)

9 October 2016

matched by identifier from

International Chemical Identifier

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

UniChem compound ID

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Probes And Drugs ID

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