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CHEBI:202955 - Sirosterol

ChEBI IDCHEBI:202955
ChEBI NameSirosterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H60O7
Net Charge0
Average Mass736.990
Monoisotopic Mass736.43390
SMILESCc1cc(O)c2c3c(c(O)c4c(c13)OC(C)C4(C)C)C(=O)C1=C2O[C@H]2C=C3C4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CCC3[C@@]3(C)CC[C@H](O)C[C@]23O1
InChIInChI=1S/C47H60O7/c1-22(2)23(3)11-12-24(4)29-13-14-30-28-20-33-47(21-27(48)15-18-46(47,10)31(28)16-17-45(29,30)9)54-43-40(51)37-36-34(25(5)19-32(49)35(36)42(43)53-33)41-38(39(37)50)44(7,8)26(6)52-41/h11-12,19-20,22-24,26-27,29-31,33,48-50H,13-18,21H2,1-10H3/b12-11+/t23-,24+,26?,27-,29+,30?,31?,33-,45+,46+,47-/m0/s1
InChIKeyNSJBXDFECXDHRZ-XJJWCECESA-N
Species of MetaboliteComponentSourceComments
Sirococcus (ncbitaxon:83884) - DOI (10.1139/v92-238)
ChEBI Ontology
Outgoing Relation(s)
Sirosterol (CHEBI:202955) 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-11,15,27,27,28,32-hexamethyl-3,21,29-trioxanonacyclo[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