CHEBI:175444 - 25-Methylgramisterol

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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 25-Methylgramisterol
ChEBI ID CHEBI:175444
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.729
Monoisotopic Mass 426.38617
InChI InChI=1S/C30H50O/c1-19(9-10-20(2)28(4,5)6)23-13-14-25-22-11-12-24-21(3)27(31)16-18-30(24,8)26(22)15-17-29(23,25)7/h11,19,21,23-27,31H,2,9-10,12-18H2,1,3-8H3
InChIKey KRMCRDNDVNGZDL-UHFFFAOYSA-N
SMILES OC1C(C2C(C3C(C4C(C(CC4)C(CCC(C(C)(C)C)=C)C)(CC3)C)=CC2)(CC1)C)C
ChEBI Ontology
Outgoing 25-Methylgramisterol (CHEBI:175444) is a ergostanoid (CHEBI:50403)
IUPAC Name
17-(6,6-dimethyl-5-methylideneheptan-2-yl)-4,10,13-trimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xref Database
HMDB0033684 HMDB
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