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CHEBI:45237 - REIDISPONGIOLIDE C

Default Structure
ChEBI IDCHEBI:45237
ChEBI NameREIDISPONGIOLIDE C
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC52H84O14
Net Charge0
Average Mass933.230
Monoisotopic Mass932.58611
SMILES[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(OC([H])([H])[H])[C@]([H])(C(=O)C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@@]1([H])OC(=O)/C([H])=C([H])/C([H])=C(\C([H])([H])[H])C([H])([H])[C@@]([H])(OC([H])([H])[H])C([H])([H])C2=C([H])C(=O)O[C@]([H])(C2([H])[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@]([H])(OC([H])([H])[H])/C([H])=C(\[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])C([H])([H])[C@@]([H])(OC([H])([H])[H])/C([H])=C(\[H])[C@]1([H])C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C52H84O14/c1-32-16-15-17-49(56)66-52(38(7)51(64-14)34(3)20-23-43(53)36(5)44(61-11)24-25-48(54)55)35(4)19-22-40(58-8)30-45(62-12)33(2)18-21-41(59-9)31-46(63-13)37(6)47-28-39(29-50(57)65-47)27-42(26-32)60-10/h15-19,21-22,29,33-38,40-42,44-47,51-52H,20,23-28,30-31H2,1-14H3,(H,54,55)/b17-15+,21-18+,22-19+,32-16+/t33-,34-,35-,36-,37+,38-,40-,41+,42+,44+,45-,46-,47+,51-,52-/m0/s1
InChIKeyQTLSHCJDXCYLJK-VRWAWWQJSA-N
ChEBI Ontology
Outgoing Relation(s)
REIDISPONGIOLIDE C (CHEBI:45237) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(4R,5R,9S,10S,11S)-4,10-dimethoxy-5,9-dimethyl-6-oxo-11-[(3R,5E,7E,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25R)-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]dodecanoic acidPDBeChem
REIDISPONGIOLIDE CPDBeChem
Manual XrefsDatabases
RGCPDBeChem