rel-(2R,5S,7R,10S)-7-Hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane (Q27137297)

CHEBI:68944 (English)

(2S,3R,4S,5R,6R)-2-[2-[(3R,5R,6R,9R)-9-hydroperoxy-6-methyl-10-methylidenespiro[4.5]decan-3-yl]propan-2-yloxy]-6-methyloxane-3,4,5-triol

7 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChIKey

chemical formula

C₂₁H₃₆O₇

1 reference

CHEBI:68944 (English)

7 October 2016

canonical SMILES

CC1CCC(C(=C)C12CCC(C2)C(C)(C)OC3C(C(C(C(O3)C)O)O)O)OO

1 reference

CHEBI:68944 (English)

7 October 2016

isomeric SMILES

C[C@H]1CC[C@H](C(=C)[C@]12CC[C@H](C2)C(C)(C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)O)O)O)OO

1 reference

CHEBI:68944 (English)

InChI=1S/C21H36O7/c1-11-6-7-15(28-25)12(2)21(11)9-8-14(10-21)20(4,5)27-19-18(24)17(23)16(22)13(3)26-19/h11,13-19,22-25H,2,6-10H2,1,3-5H3/t11-,13+,14+,15+,16-,17-,18+,19-,21-/m0/s1

7 October 2016

Identifiers

InChI

1 reference

CHEBI:68944 (English)

WXLVRXBQCVFTIV-MBAINBPKSA-N

7 October 2016

InChIKey

2 references

CHEBI:68944 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

2-[(2R,5S,7R,10S)-7-Hydroperoxy-10-methyl-6-methylenespiro[4.5]dec-2-yl]-2-propanyl 6-deoxy-beta-D-galactopyranoside (English)

7 October 2016

2 references

CHEBI:68944 (English)

matched by identifier from

7 October 2016

InChIKey

WXLVRXBQCVFTIV-MBAINBPKSA-N

ChEBI ID

68944

mapping relation type

2 references

rel-(2R,5S,7R,10S)-7-Hydroperoxy-2-[(1-methyl-1-beta-D-fucopyranosyloxy)ethyl]-10-methyl-6-methylenespiro[4.5]-decane (English)