Pregn-5-ene-3beta,20beta-diol (CHEBI:166782)

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CHEBI:166782 - Pregn-5-ene-3beta,20beta-diol

ChEBI ID	CHEBI:166782
ChEBI Name	Pregn-5-ene-3beta,20beta-diol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C21H34O2
Net Charge	0
Average Mass	318.501
Monoisotopic Mass	318.25588
SMILES	[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@@H](C)O
InChI	InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey	QAAQQTDJEXMIMF-NFJVIFTASA-N

Roles Classification

Biological Role:

hormone Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds.

ChEBI Ontology

Outgoing Relation(s)
	Pregn-5-ene-3beta,20beta-diol (CHEBI:166782) is a corticosteroid hormone (CHEBI:36699)

IUPAC Name
(3S,8S,9S,10R,13S,14S,17S)-17-[(1R)-1-hydroxyethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Manual Xrefs	Databases
LMST02030206	LIPID MAPS
92061	ChemSpider

Registry Numbers	Sources
CAS:901-57-5	ChemIDplus