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pectenotoxin-11

Go to external page http://purl.obolibrary.org/obo/CHEBI_142397

A cyclic polyether isolated from the toxic dinoflagellate Dinophysis acuta.

Term info

Label

pectenotoxin-11

Synonyms
  • (1S,2R,5R,7R,8E,10E,12R,14S,15S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-14-[(2S,3R,4R)-2,3-dihydroxy-4-methyloxan-2-yl]-15,28-dihydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1(1,35).1(2,5).1(20,24).1(24,27).1(29,32).0(12,16)]tritetraconta-8,10-diene-18,31-dione
database cross reference
Subsets

3_STAR

IUPAC NAME
(1S,2R,5R,7R,8E,10E,12R,14S,15S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-14-[(2S,3R,4R)-2,3-dihydroxy-4-methyloxan-2-yl]-15,28-dihydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1(1,35).1(2,5).1(20,24).1(24,27).1(29,32).0(12,16)]tritetraconta-8,10-diene-18,31-dione [ IUPAC ]

charge

0

formula

C47H70O15

has obo namespace

chebi_ontology

has related synonym

(34S)-hydroxypectenotoxin-2, pectenotoxin 11, (1S,2R,5R,7R,8E,10E,12R,14S,15S,16R,19R,20S,24R,27S,28S,29R,32R,33R,35S)-14-[(2S,3R,4R)-2,3-dihydroxy-4-methyltetrahydro-2H-pyran-2-yl]-15,28-dihydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1(1,35).1(2,5).1(20,24).1(24,27).1(29,32).0(12,16)]tritetraconta-8,10-diene-18,31-dione, PTX11

id

CHEBI:142397

inchi

InChI=1S/C47H70O15/c1-25-10-11-31-37(35(49)40(55-31)47(53)38(50)27(3)14-20-54-47)56-41(52)28(4)30-9-8-15-45(57-30)17-12-32(58-45)39(51)44(7)23-29(48)36(61-44)33-24-43(6)18-19-46(59-33,62-43)34-13-16-42(5,60-34)22-26(2)21-25/h10-11,21,26-28,30-40,49-51,53H,8-9,12-20,22-24H2,1-7H3/b11-10+,25-21+/t26-,27+,28+,30-,31+,32-,33+,34+,35-,36-,37-,38+,39-,40-,42+,43-,44+,45+,46-,47-/m0/s1

inchikey

ASJMRRUHURWTNM-NCWQDUMVSA-N

mass

875.052

monoisotopicmass

874.47147

smiles

[C@@]123O[C@@](CC1)(C[C@@H](O2)[C@H]4O[C@@]([C@H]([C@H]5O[C@]6(CCC[C@@H]([C@H](C(O[C@@H]7[C@@H]([C@@H]([C@]8(OCC[C@H]([C@H]8O)C)O)O[C@@]7(C=CC(=C[C@@H](C[C@@]9(O[C@@H]3CC9)C)C)C)[H])O)=O)C)O6)CC5)O)(CC4=O)C)C

Term relations

Subclass of: