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CHEBI:141365 - sclerodol B

Default Structure
ChEBI IDCHEBI:141365
ChEBI Namesclerodol B
Stars
DefinitionA 3β-hydroxy steroid that is (3β,5α)-4,4,14-trimethylandrost-8-en-3-ol which is substituted by a (3E,6S)-2-methoxy-2-methylhept-3-en-6-yl group at position 17.
Last Modified17 August 2023
SubmitterR. Stephan
DownloadsMolfile
FormulaC31H52O2
Net Charge0
Average Mass456.755
Monoisotopic Mass456.39673
SMILES[H][C@@]12CCC3=C(CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)C/C=C/C(C)(C)OC)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C31H52O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,17,21-22,25-26,32H,11-16,18-20H2,1-9H3/b17-10+/t21-,22-,25+,26+,29-,30-,31+/m1/s1
InChIKeyKMUGSJNEBPVLKO-PWUQRKGSSA-N
Species of MetaboliteComponentSourceComments
Scleroderma sp. UFSMSc1 (ncbitaxon:436453) - PubMed (26826733)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ChEBI Ontology
Outgoing Relation(s)
sclerodol B (CHEBI:141365) has parent hydride lanostane (CHEBI:20265)
sclerodol B (CHEBI:141365) has role antifungal agent (CHEBI:35718)
sclerodol B (CHEBI:141365) has role fungal metabolite (CHEBI:76946)
sclerodol B (CHEBI:141365) is a 3β-hydroxy steroid (CHEBI:36836)
sclerodol B (CHEBI:141365) is a ether (CHEBI:25698)
sclerodol B (CHEBI:141365) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
(3β,23E)-25-methoxylanosta-8,23-dien-3-ol
Synonym  Source
sclerodol BChEBI
Registry NumbersSources
Reaxys:29689270Reaxys
Citations