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CHEBI:62461 - helvolate

ChEBI IDCHEBI:62461
ChEBI Namehelvolate
Stars
DefinitionThe steroid acid anion formed by loss of a proton from the carboxy group of helvolic acid; major microspecies at pH 7.3.
Last Modified28 June 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC33H43O8
Net Charge-1
Average Mass567.699
Monoisotopic Mass567.29634
SMILES[H][C@]12[C@H](C)C(=O)C=C[C@]1(C)[C@]1([H])CC[C@@]3([H])/C(=C(\CCC=C(C)C)C(=O)[O-])[C@@H](OC(C)=O)C[C@]3(C)[C@@]1(C)C(=O)[C@H]2OC(C)=O
InChIInChI=1S/C33H44O8/c1-17(2)10-9-11-21(30(38)39)26-22-12-13-25-31(6)15-14-23(36)18(3)27(31)28(41-20(5)35)29(37)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,14-15,18,22,24-25,27-28H,9,11-13,16H2,1-8H3,(H,38,39)/p-1/b26-21-/t18-,22+,24+,25+,27-,28+,31-,32+,33-/m1/s1
InChIKeyMDFZYGLOIJNNRM-OAJDADRGSA-M
ChEBI Ontology
Outgoing Relation(s)
helvolate (CHEBI:62461) is a steroid acid anion (CHEBI:50160)
helvolate (CHEBI:62461) is conjugate base of helvolic acid (CHEBI:62460)
Incoming Relation(s)
helvolic acid (CHEBI:62460) is conjugate acid of helvolate (CHEBI:62461)
IUPAC Name 
(2Z)-2-[(4α,5α,6β,8α,9β,13α,14β,16β,17Z)-6,16-diacetoxy-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-methylhept-5-enoate
Synonyms  Source
16-(Acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oateChEBI
(4α,6β,8α,9β,13α,14β,16β,17β)-6,16- bis(acetyloxy)-3,7-dioxo-29-nordammara-1,17(20),24-trien-21-oateChEBI
fumigacin(1−)ChEBI
Citations