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CHEBI:72309 - globostellatate D(1−)

ChEBI IDCHEBI:72309
ChEBI Nameglobostellatate D(1−)
Stars
ASCII Nameglobostellatate D(1-)
DefinitionAn oxo monocarboxylic acid anion obtained by the deprotonation of the carboxy group of globostellatic acid D.
Last Modified8 February 2013
Submitternamrata
DownloadsMolfile
FormulaC31H45O6
Net Charge-1
Average Mass513.695
Monoisotopic Mass513.32216
SMILES[H][C@@]12CC(=O)/C(=C(C)\C=C\C=C(C)\C=C\C(OC)C(C)(C)O)[C@@]1(C)CC[C@]1([H])[C@]2(C)CC[C@@H](O)[C@]1(C)C(=O)[O-]
InChIInChI=1S/C31H46O6/c1-19(12-13-25(37-8)28(3,4)36)10-9-11-20(2)26-21(32)18-23-29(5)17-15-24(33)31(7,27(34)35)22(29)14-16-30(23,26)6/h9-13,22-25,33,36H,14-18H2,1-8H3,(H,34,35)/p-1/b11-9+,13-12+,19-10+,26-20+/t22-,23+,24-,25?,29+,30+,31-/m1/s1
InChIKeySZHMATBACCQYNZ-LMRICTRBSA-M
ChEBI Ontology
Outgoing Relation(s)
globostellatate D(1−) (CHEBI:72309) is a oxo monocarboxylic acid anion (CHEBI:35902)
globostellatate D(1−) (CHEBI:72309) is conjugate base of globostellatic acid D (CHEBI:72310)
Incoming Relation(s)
sodium globostellatate D (CHEBI:65972) has part globostellatate D(1−) (CHEBI:72309)
globostellatic acid D (CHEBI:72310) is conjugate acid of globostellatate D(1−) (CHEBI:72309)
IUPAC Name 
(3Z,3aS,5aR,6R,7R,9aR,9bS)-7-hydroxy-3-[(3E,5E,7E)-10-hydroxy-9-methoxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate