(13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol (Q27163376)

STOCK1N-09285 (English)

9 October 2016

chemical formula

C₂₁H₂₆O₂

1 reference

STOCK1N-09285 (English)

9 October 2016

canonical SMILES

CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC

1 reference

STOCK1N-09285 (English)

9 October 2016

isomeric SMILES

C[C@]12CCC3C(C1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC

1 reference

STOCK1N-09285 (English)

InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17?,18?,19?,20-,21-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

STOCK1N-09285 (English)

IMSSROKUHAOUJS-VYJKVFMHSA-N

9 October 2016

InChIKey

2 references

STOCK1N-09285 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8xi,9xi,14xi,17alpha)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol (English)

9 October 2016

2 references

STOCK1N-09285 (English)

matched by identifier from

9 October 2016

InChIKey

IMSSROKUHAOUJS-VYJKVFMHSA-N

ChEBI ID

91543

mapping relation type

2 references

(13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol (English)