CHEBI:202955 - Sirosterol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sirosterol
ChEBI ID CHEBI:202955
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C47H60O7
Net Charge 0
Average Mass 736.990
Monoisotopic Mass 736.43390
InChI InChI=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
InChIKey NSJBXDFECXDHRZ-XJJWCECESA-N
SMILES O=C1C=2O[C@]34[C@@](C5C(C6[C@]([C@@H]([C@@H](/C=C/[C@@H](C(C)C)C)C)CC6)(C)CC5)=C[C@@H]3OC2C=7C(O)=CC(=C8C7C1=C(O)C=9C(C(C)OC89)(C)C)C)(CC[C@@H](C4)O)C
Metabolite of Species Details
Sirococcus (NCBI:txid83884) See: DOI
ChEBI Ontology
Outgoing 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