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CHEBI:45593 - SPHINXOLIDE B

Default Structure
ChEBI IDCHEBI:45593
ChEBI NameSPHINXOLIDE B
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC53H85NO14
Net Charge0
Average Mass960.256
Monoisotopic Mass959.59701
SMILES[H]O[C@@]1([H])C2=C([H])C(=O)O[C@@]1([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])(O[H])C([H])([H])[C@@]([H])(OC([H])([H])[H])/C([H])=C(\[H])[C@]([H])(C([H])([H])[H])[C@@]([H])([C@@]([H])(C([H])([H])[H])[C@@]([H])(OC([H])([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C(=O)[C@]([H])(C([H])([H])[H])[C@]([H])(OC([H])([H])[H])C([H])([H])/C([H])=C(\[H])N(C([H])=O)C([H])([H])[H])OC(=O)/C([H])=C([H])\C([H])=C(/C([H])([H])[H])C([H])([H])[C@@]([H])(OC([H])([H])[H])C2([H])[H]
InChIInChI=1S/C53H85NO14/c1-33-17-15-19-48(58)67-52(39(7)51(66-14)35(3)22-25-44(56)37(5)46(64-12)18-16-26-54(8)32-55)36(4)21-24-41(61-9)30-45(57)34(2)20-23-42(62-10)31-47(65-13)38(6)53-50(60)40(29-49(59)68-53)28-43(27-33)63-11/h15-17,19-21,23-24,26,29,32,34-39,41-43,45-47,50-53,57,60H,18,22,25,27-28,30-31H2,1-14H3/b19-15-,23-20+,24-21+,26-16+,33-17+/t34-,35-,36-,37-,38+,39-,41-,42+,43+,45-,46+,47-,50-,51-,52-,53-/m0/s1
InChIKeyMINVLQAHLUCDIO-WUYLRMRFSA-N
ChEBI Ontology
Outgoing Relation(s)
SPHINXOLIDE B (CHEBI:45593) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-{(1E,4R,5R,9S,10S,11S)-11-[(3R,5E,7Z,11S,12S,13E,15R,17S,18S,19E,21S,23S,24R,25S,29S)-17,29-dihydroxy-3,15,21,23-tetramethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododec-1-en-1-yl}-N-methylformamidePDBeChem
SPHINXOLIDE BPDBeChem
Manual XrefsDatabases
SPXPDBeChem