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(+)-jasplakinolide W

Go to external page http://purl.obolibrary.org/obo/CHEBI_68279

A cyclodepsipeptide isolated from Jaspis splendens.

Term info

Label

(+)-jasplakinolide W

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

3_STAR

IUPAC NAME
(3Z,7R,10S,13S,15E,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-4-(3,4-dihydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadeca-3,15-diene-2,6,9,12-tetrone [ IUPAC ]

charge

0

formula

C36H43BrN4O7

has obo namespace

chebi_ontology

id

CHEBI:68279

inchi

InChI=1S/C36H43BrN4O7/c1-19-13-20(2)15-22(4)48-32(44)18-28(24-11-12-30(42)31(43)16-24)40-35(46)29(17-26-25-9-7-8-10-27(25)39-33(26)37)41(6)36(47)23(5)38-34(45)21(3)14-19/h7-13,16,18,20-23,29,39,42-43H,14-15,17H2,1-6H3,(H,38,45)(H,40,46)/b19-13+,28-18-/t20-,21-,22-,23-,29+/m0/s1

inchikey

QIXWTNQUYUZIHF-HOYRBNAJSA-N

mass

723.65300

monoisotopicmass

722.23151

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]c3ccccc23)C(=O)N\C(=C/C(=O)O1)c1ccc(O)c(O)c1