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CHEBI:204382 - Isocephalosporin P1

ChEBI IDCHEBI:204382
ChEBI NameIsocephalosporin P1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O8
Net Charge0
Average Mass574.755
Monoisotopic Mass574.35057
SMILESCC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4[C@@H](O)[C@H](OC(C)=O)[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)O
InChIInChI=1S/C33H50O8/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(37)29(41-20(5)35)33(25,8)32(22,7)16-24(26)40-19(4)34/h10,18,22-25,27-29,36-37H,9,11-16H2,1-8H3,(H,38,39)/b26-21-/t18-,22+,23-,24+,25+,27-,28-,29+,31-,32+,33-/m1/s1
InChIKeyGDJVSKALKNUTRX-VALXSNPUSA-N
Species of MetaboliteComponentSourceComments
Hapsidospora chrysogena (ncbitaxon:5044) - DOI (10.1016/s0040-4020(01)82867-2)
ChEBI Ontology
Outgoing Relation(s)
Isocephalosporin P1 (CHEBI:204382) is a steroid ester (CHEBI:47880)
IUPAC Name 
(2Z)-2-[(3R,4S,5S,6R,7R,8S,9S,10R,13R,14S,16S)-7,16-diacetyloxy-3,6-dihydroxy-4,8,10,14-tetramethyl-2,3,4,5,6,7,9,11,12,13,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]-6-methylhept-5-enoic acid
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