Dinosterone (CHEBI:166794)

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CHEBI:166794 - Dinosterone

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ChEBI ID	CHEBI:166794
ChEBI Name	Dinosterone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H50O
Net Charge	0
Average Mass	426.729
Monoisotopic Mass	426.38617
SMILES	[H][C@@]12CC[C@@]3([H])[C@H](C)C(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)/C=C(\C)[C@H](C)C(C)C)CC[C@@]21[H]
InChI	InChI=1S/C30H50O/c1-18(2)21(5)19(3)17-20(4)24-11-12-26-23-9-10-25-22(6)28(31)14-16-30(25,8)27(23)13-15-29(24,26)7/h17-18,20-27H,9-16H2,1-8H3/b19-17+/t20?,21-,22+,23+,24-,25+,26+,27+,29-,30+/m1/s1
InChIKey	VQFPSNWXBZIBRL-WALVZZJISA-N

ChEBI Ontology

Outgoing Relation(s)
	Dinosterone (CHEBI:166794) has parent hydride gorgostane (CHEBI:24424)
	Dinosterone (CHEBI:166794) is a steroid (CHEBI:35341)

IUPAC Name
(4S,5S,8S,9S,10R,13R,14S,17R)-4,10,13-trimethyl-17-[(E,5R)-4,5,6-trimethylhept-3-en-2-yl]-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

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