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CHEBI:228299 - asterasterol A

ChEBI IDCHEBI:228299
ChEBI Nameasterasterol A
Stars
Last Modified21 December 2023
SubmitterAdnan
DownloadsMolfile
FormulaC28H44O7S
Net Charge0
Average Mass524.720
Monoisotopic Mass524.28077
SMILES[H][C@]12C[C@H](O)CC[C@]1(C)C1CC[C@@]3(C)C(CC[C@]3([H])[C@H](C)CCC(=C)C(C)COS(=O)(=O)O)C1=CC(=O)O2
InChIInChI=1S/C28H44O7S/c1-17(19(3)16-34-36(31,32)33)6-7-18(2)22-8-9-23-21-15-26(30)35-25-14-20(29)10-12-28(25,5)24(21)11-13-27(22,23)4/h15,18-20,22-25,29H,1,6-14,16H2,2-5H3,(H,31,32,33)/t18-,19?,20-,22-,23?,24?,25+,27-,28-/m1/s1
InChIKeyUOWITEYXRONPSG-HRZHKYNISA-N
Species of MetaboliteComponentSourceComments
Asteriidae (ncbitaxon:7600) - DOI (10.1016/S0040-4020(97)00531-0)
Roles Classification
Biological Roles:
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
ChEBI Ontology
Outgoing Relation(s)
asterasterol A (CHEBI:228299) has role animal metabolite (CHEBI:75767)
asterasterol A (CHEBI:228299) has role marine metabolite (CHEBI:76507)
asterasterol A (CHEBI:228299) is a 3α-hydroxy steroid (CHEBI:36835)
asterasterol A (CHEBI:228299) is a C28-steroid (CHEBI:188921)
asterasterol A (CHEBI:228299) is a oxa-steroid (CHEBI:50917)
asterasterol A (CHEBI:228299) is a steroid lactone (CHEBI:26766)
asterasterol A (CHEBI:228299) is a sulfooxy steroid (CHEBI:52035)
IUPAC Name 
(6R)-6-[(3aS,5R,7aR,9aR,10R)-5-hydroxy-7a,9a-dimethyl-2-oxo-3a,4,5,6,7,7a,7b,8,9,9a,10,11,12,12a-tetradecahydro-2H-benzo[b]indeno[5,4-d]oxepin-10-yl]-2-methyl-3-methylideneheptyl hydrogen sulfate
Synonyms  Source
3α-hydroxy-24-methylene-26-sulphoxy-B-homo-5-oxa-5α-cholest-7-en-6-oneChEBI
(+)-asterasterol AChEBI
Registry NumbersSources
CAS:193008-25-2ChEBI