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CHEBI:210552 - Roselipin-2A

ChEBI IDCHEBI:210552
ChEBI NameRoselipin-2A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74O15
Net Charge0
Average Mass819.039
Monoisotopic Mass818.50277
SMILESCCC(C)CC(C)CC(C)C(OC1OC(COC(C)=O)C(O)C(O)C1O)C(C)/C=C(\C)C(O)C(C)/C=C(\C)C(O)C(C)/C=C(\C)C(=O)OC[C@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C42H74O15/c1-12-21(2)13-22(3)14-27(8)40(57-42-39(52)38(51)37(50)33(56-42)20-54-30(11)44)28(9)16-25(6)34(47)23(4)15-24(5)35(48)26(7)17-29(10)41(53)55-19-32(46)36(49)31(45)18-43/h15-17,21-23,26-28,31-40,42-43,45-52H,12-14,18-20H2,1-11H3/b24-15+,25-16+,29-17+/t21?,22?,23?,26?,27?,28?,31-,32-,33?,34?,35?,36+,37?,38?,39?,40?,42?/m0/s1
InChIKeyNCIXLNTUPVOTSJ-MPKQZEDBSA-N
Species of MetaboliteComponentSourceComments
Gliocladium (ncbitaxon:62887) - PubMed (10470686)
ChEBI Ontology
Outgoing Relation(s)
Roselipin-2A (CHEBI:210552) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
[(2S,3R,4S)-2,3,4,5-tetrahydroxypentyl] (2E,6E,10E)-13-[6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10-trienoate
Manual XrefsDatabases
78445255ChemSpider