Penicisteroid D (CHEBI:207853)

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CHEBI:207853 - Penicisteroid D

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ChEBI ID	CHEBI:207853
ChEBI Name	Penicisteroid D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H48O3
Net Charge	0
Average Mass	456.711
Monoisotopic Mass	456.36035
SMILES	CC(=O)O[C@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@H](C)/C=C/[C@H](C)C(C)C
InChI	InChI=1S/C30H48O3/c1-18(2)19(3)8-9-20(4)28-27(33-21(5)31)17-26-24-11-10-22-16-23(32)12-14-29(22,6)25(24)13-15-30(26,28)7/h8-10,18-20,23-28,32H,11-17H2,1-7H3/b9-8+/t19-,20+,23-,24+,25-,26-,27-,28-,29-,30-/m0/s1
InChIKey	AYHBAGCWPTUZNA-YTRPNWAMSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (30893778)

ChEBI Ontology

Outgoing Relation(s)
	Penicisteroid D (CHEBI:207853) is a ergostanoid (CHEBI:50403)

IUPAC Name
[(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl] acetate

Manual Xrefs	Databases
73930370	ChemSpider