7alpha-hydroxylambertianic acid (Q27138118)

CHEBI:69776 (English)

(1S,4aR,5R,7R,8aS)-5-[2-(furan-3-yl)ethyl]-7-hydroxy-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

7 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₄

1 reference

CHEBI:69776 (English)

7 October 2016

canonical SMILES

CC12CCCC(C1CC(C(=C)C2CCC3=COC=C3)O)(C)C(=O)O

1 reference

CHEBI:69776 (English)

7 October 2016

isomeric SMILES

C[C@]12CCC[C@]([C@@H]1C[C@H](C(=C)[C@@H]2CCC3=COC=C3)O)(C)C(=O)O

1 reference

CHEBI:69776 (English)

Amphiachyris dracunculoides

7 October 2016

found in taxon

1 reference

stated in

Labdane derivatives and flavones from Gutierrezia dracunculoides

Brachystemma calycinum

1 reference

stated in

Bioactive compounds from the aerial parts of Brachystemma calycinum and structural revision of an octacyclopeptide

Identifiers

InChI

InChI=1S/C20H28O4/c1-13-15(6-5-14-7-10-24-12-14)19(2)8-4-9-20(3,18(22)23)17(19)11-16(13)21/h7,10,12,15-17,21H,1,4-6,8-9,11H2,2-3H3,(H,22,23)/t15-,16+,17+,19+,20-/m0/s1

1 reference

CHEBI:69776 (English)

JKNRRIMICPNZHS-PNDFQMOFSA-N

7 October 2016

InChIKey

2 references

CHEBI:69776 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1S,4aR,5R,7R,8aR)-5-[2-(3-Furyl)ethyl]-7-hydroxy-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenecarboxylic acid (English)

7 October 2016

2 references

CHEBI:69776 (English)

matched by identifier from

7 October 2016

InChIKey

JKNRRIMICPNZHS-PNDFQMOFSA-N

ChEBI ID

69776

mapping relation type

2 references

7alpha-hydroxylambertianic acid (English)