3-cyclopentylpropanoic acid [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester (Q27163750)

estradiol cypionate (English)

9 October 2016

chemical formula

C₂₆H₃₆O₃

1 reference

estradiol cypionate (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O

1 reference

estradiol cypionate (English)

9 October 2016

isomeric SMILES

C[C@]12CCC3C(C1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O

1 reference

estradiol cypionate (English)

InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21?,22?,23?,24-,26-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

estradiol cypionate (English)

UOACKFBJUYNSLK-OCTSOESTSA-N

9 October 2016

InChIKey

2 references

estradiol cypionate (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8xi,9xi,14xi,17beta)-3-Hydroxyestra-1,3,5(10)-trien-17-yl 3-cyclopentylpropanoate (English)

9 October 2016

2 references

estradiol cypionate (English)

matched by identifier from

9 October 2016

InChIKey

UOACKFBJUYNSLK-OCTSOESTSA-N

ChEBI ID

91954

mapping relation type

2 references

3-cyclopentylpropanoic acid [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester (English)