CHEBI:156161 - Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5b,6a)-

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ChEBI Name Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5b,6a)-
ChEBI ID CHEBI:156161
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C24H38O4
Net Charge 0
Average Mass 390.564
Monoisotopic Mass 390.27701
InChI InChI=1S/C24H38O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h14,17-21,27H,6-13H2,1-5H3/t14-,17+,18+,19-,20-,21-,22+,23-,24-/m0/s1
InChIKey KLUQGOGCKJDULX-LUKLVGGESA-N
SMILES O([C@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@]([C@H](C3)C)(C[C@H](O)CC4)[H])C)(CC2)[H])[H])(CC1)[H])C)C(=O)C)C(=O)C
Roles Classification
Biological Role(s): 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.
(via steroid hormone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5b,6a)- (CHEBI:156161) is a corticosteroid hormone (CHEBI:36699)
IUPAC Name
[(3R,5S,6S,8R,9S,10S,13S,14S,17R)-17-acetyl-3-hydroxy-6,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate