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CHEBI:201273 - (1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol

ChEBI IDCHEBI:201273
ChEBI Name(1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H44O3
Net Charge0
Average Mass440.668
Monoisotopic Mass440.32905
SMILESCC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@@H](O)CC[C@]12C)OO3)C(C)C
InChIInChI=1S/C29H44O3/c1-7-21(19(2)3)9-8-20(4)23-10-11-24-26(23,5)14-13-25-27(6)15-12-22(30)18-28(27)16-17-29(24,25)32-31-28/h8-9,13,16-17,19-24,30H,7,10-12,14-15,18H2,1-6H3/b9-8+/t20-,21+,22+,23-,24-,26-,27-,28-,29+/m1/s1
InChIKeyYXXHYKUZOXXRTH-GUAMEHLRSA-N
Species of MetaboliteComponentSourceComments
Stereum hirsutum (ncbitaxon:40492) - PubMed (17869507)
ChEBI Ontology
Outgoing Relation(s)
(1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol (CHEBI:201273) has parent hydride stigmastane (CHEBI:26773)
(1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol (CHEBI:201273) is a steroid (CHEBI:35341)
IUPAC Name 
(1S,2R,5R,6R,10R,13S,15S)-5-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol
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