Stereinone D (CHEBI:217534)

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CHEBI:217534 - Stereinone D

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ChEBI ID	CHEBI:217534
ChEBI Name	Stereinone D
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H42O4
Net Charge	0
Average Mass	466.662
Monoisotopic Mass	466.30831
SMILES	CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O
InChI	InChI=1S/C30H42O4/c1-17(2)10-9-11-18(3)19-12-15-29(7)23-20(31)16-21-27(4,5)22(32)13-14-28(21,6)24(23)25(33)26(34)30(19,29)8/h10,18-19,21H,9,11-16H2,1-8H3/t18-,19-,21+,28+,29+,30+/m1/s1
InChIKey	FWPNSXVCYJWOKH-FDNZWFKKSA-N

Species of Metabolite	Component	Source	Comments
Stereumspecies (ncbitaxon:1849817)	-	PubMed (29197540)

ChEBI Ontology

Outgoing Relation(s)
	Stereinone D (CHEBI:217534) is a triterpenoid (CHEBI:36615)

IUPAC Name
(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,5,6,15,16,17-hexahydro-1H-cyclopenta[a]phenanthrene-3,7,11,12-tetrone