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CHEBI:72303 - globostellatate B(1−)

ChEBI IDCHEBI:72303
ChEBI Nameglobostellatate B(1−)
Stars
ASCII Nameglobostellatate B(1-)
DefinitionAn oxo monocarboxylic acid anion obtained by the deprotonation of the carboxylic group of globostellatic acid B.
Last Modified8 February 2013
Submitternamrata
DownloadsMolfile
FormulaC33H47O7
Net Charge-1
Average Mass555.732
Monoisotopic Mass555.33273
SMILES[H][C@@]12CC(=O)/C(=C(C)\C=C\C=C(/C)C(/C=C/C(C)(C)O)OC)[C@@]1(C)CC[C@]1([H])[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)[O-]
InChIInChI=1S/C33H48O7/c1-20(24(39-9)13-16-30(4,5)38)11-10-12-21(2)28-23(35)19-26-31(6)18-15-27(40-22(3)34)33(8,29(36)37)25(31)14-17-32(26,28)7/h10-13,16,24-27,38H,14-15,17-19H2,1-9H3,(H,36,37)/p-1/b12-10+,16-13+,20-11+,28-21+/t24?,25-,26+,27-,31+,32+,33-/m1/s1
InChIKeyMBQOCAYHVGZDCH-HGJCQRRPSA-M
ChEBI Ontology
Outgoing Relation(s)
globostellatate B(1−) (CHEBI:72303) is a oxo monocarboxylic acid anion (CHEBI:35902)
globostellatate B(1−) (CHEBI:72303) is conjugate base of globostellatic acid B (CHEBI:72304)
Incoming Relation(s)
sodium globostellatate B (CHEBI:65970) has part globostellatate B(1−) (CHEBI:72303)
globostellatic acid B (CHEBI:72304) is conjugate acid of globostellatate B(1−) (CHEBI:72303)
IUPAC Name 
(3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(3E,5E,8E)-10-hydroxy-7-methoxy-6,10-dimethylundeca-3,5,8-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate
Synonym  Source
globostellatate B anionChEBI