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jasplakinolide R1

Go to external page http://purl.obolibrary.org/obo/CHEBI_68273

A cyclodepsipeptide isolated from Jaspis splendens.

Term info

Label

jasplakinolide R1

Synonyms
  • (4R,7R,10S,13S,15E,17R,19S)-7-[(2,6-dibromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone
database cross reference
Subsets

3_STAR

IUPAC NAME
(4R,7R,10S,13S,15E,17R,19S)-7-[(2,6-dibromo-1H-indol-3-yl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone [ IUPAC ]

charge

0

formula

C36H44Br2N4O6

has obo namespace

chebi_ontology

id

CHEBI:68273

inchi

InChI=1S/C36H44Br2N4O6/c1-19-13-20(2)15-22(4)48-32(44)18-29(24-7-10-26(43)11-8-24)41-35(46)31(42(6)36(47)23(5)39-34(45)21(3)14-19)17-28-27-12-9-25(37)16-30(27)40-33(28)38/h7-13,16,20-23,29,31,40,43H,14-15,17-18H2,1-6H3,(H,39,45)(H,41,46)/b19-13+/t20-,21-,22-,23-,29+,31+/m0/s1

inchikey

DECYMRKFVIEIJT-DCKISPQZSA-N

mass

788.56600

monoisotopicmass

786.16276

smiles

C[C@H]1C[C@@H](C)\C=C(C)\C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2c(Br)[nH]c3cc(Br)ccc23)C(=O)N[C@H](CC(=O)O1)c1ccc(O)cc1