**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

Feedback

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

Properties

Image

Occurences in reactions

MNX_ID

MNXM1372376

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₁H₂₆O₂

charge

mass

310.437

reference

chebi:91543

InChIKey

IMSSROKUHAOUJS-VYJKVFMHSA-N

InChI

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

SMILES

[CH:1]#[C:4][C@:21]1([OH:22])[CH2:12][CH2:10][CH:19]2[CH:18]3[CH2:7][CH2:5][c:14]4[cH:13][c:15]([O:23][CH3:3])[cH:6][cH:8][c:16]4[CH:17]3[CH2:9][CH2:11][C@@:20]21[CH3:2]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:91543 chebi:91543	(13S,17R)-17-ethynyl-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
metacyc.compound:CPD-24343 metacycM:CPD-24343	mestranol 17-ethynyl-3-methoxyestra-1(10),2,4-trien-17beta-ol 3-methoxy-17alpha-ethynylestradio enovid norinyl ortho-Novum