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CHEBI:181273 - Secopenitrem D_120253

ChEBI IDCHEBI:181273
ChEBI NameSecopenitrem D_120253
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FormulaC37H47NO4
Net Charge0
Average Mass569.786
Monoisotopic Mass569.35051
SMILES[H][C@@]12CC[C@@]3(O)C4=CC(O)[C@@H](C(=C)C)O[C@@]4([H])CC[C@]3(C)[C@@]1(C)c1nc3ccc4c(c3c1C2)[C@@]1([H])[C@]([H])(C[C@]1([H])C(C)(C)O)C(=C)C4
InChIInChI=1S/C37H47NO4/c1-18(2)32-27(39)17-24-28(42-32)11-12-35(6)36(7)21(10-13-37(24,35)41)15-23-31-26(38-33(23)36)9-8-20-14-19(3)22-16-25(34(4,5)40)30(22)29(20)31/h8-9,17,21-22,25,27-28,30,32,38-41H,1,3,10-16H2,2,4-7H3/t21-,22+,25-,27?,28-,30-,32+,35+,36+,37+/m0/s1
InChIKeyYZQRMJFPWMHAJV-DTOWOETDSA-N
ChEBI Ontology
Outgoing Relation(s)
Secopenitrem D_120253 (CHEBI:181273) is a organic heterotricyclic compound (CHEBI:26979)
Secopenitrem D_120253 (CHEBI:181273) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S,3R,6S,8R,12S,15S,20S,21S,23S)-21-(2-hydroxypropan-2-yl)-2,3-dimethyl-24-methylidene-8-prop-1-en-2-yl-7-oxa-30-azaoctacyclo[15.13.0.02,15.03,12.06,11.018,29.019,26.020,23]triaconta-1(17),10,18(29),19(26),27-pentaene-9,12-diol