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CHEBI:202590 - Dehydroazasirosterol

ChEBI IDCHEBI:202590
ChEBI NameDehydroazasirosterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H59NO6
Net Charge0
Average Mass721.979
Monoisotopic Mass721.43424
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CCC2C3=C[C@@H]4OC5=C(N[C@@]46C[C@@H](O)CC[C@]6(C)C3CC[C@@]21C)C(=O)c1c(O)c2c(c3ccc(O)c5c13)OC(C)C2(C)C
InChIInChI=1S/C46H59NO6/c1-22(2)23(3)10-11-24(4)29-13-14-30-28-20-33-46(21-26(48)16-19-45(46,9)31(28)17-18-44(29,30)8)47-38-40(51)36-34-27(12-15-32(49)35(34)42(38)53-33)41-37(39(36)50)43(6,7)25(5)52-41/h10-12,15,20,22-26,29-31,33,47-50H,13-14,16-19,21H2,1-9H3/b11-10+/t23-,24+,25?,26-,29+,30?,31?,33-,44+,45+,46-/m0/s1
InChIKeyNALFSKQMZPEEDM-PSTLTJRPSA-N
Species of MetaboliteComponentSourceComments
Sirococcus (ncbitaxon:83884) - DOI (10.1139/v92-238)
ChEBI Ontology
Outgoing Relation(s)
Dehydroazasirosterol (CHEBI:202590) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(4S,10R,11R,15R,18S,20R)-10-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-18,25,34-trihydroxy-11,15,27,27,28-pentamethyl-3,29-dioxa-21-azanonacyclo[22.10.1.02,22.04,20.06,14.07,11.015,20.026,30.031,35]pentatriaconta-1(34),2(22),5,24,26(30),31(35),32-heptaen-23-one