CHEBI:135718 - pentagestrone acetate

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ChEBI Name pentagestrone acetate
ChEBI ID CHEBI:135718
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C28H40O4
Net Charge 0
Average Mass 440.616
Monoisotopic Mass 440.29266
InChI InChI=1S/C28H40O4/c1-18(29)28(32-19(2)30)16-13-25-23-10-9-20-17-22(31-21-7-5-6-8-21)11-14-26(20,3)24(23)12-15-27(25,28)4/h9,17,21,23-25H,5-8,10-16H2,1-4H3/t23-,24+,25+,26+,27+,28+/m1/s1
InChIKey NSRLWNNZHGRGJS-JVACCQEYSA-N
SMILES C[C@@]12[C@]([C@]3([C@](CC1)([C@]4(C)C(=CC3)C=C(CC4)OC5CCCC5)[H])[H])(CC[C@]2(OC(C)=O)C(C)=O)[H]
ChEBI Ontology
Outgoing pentagestrone acetate (CHEBI:135718) is a steroid ester (CHEBI:47880)
Synonym Source
gestovis DrugCentral
Manual Xref Database
2089 DrugCentral
View more database links
Registry Number Type Source
1178-60-5 CAS Registry Number DrugCentral
Last Modified
23 February 2017