CID 275500

41906-06-3

Structural Information

Molecular Formula

C₂₃H₃₄O₄

SMILES

CC(=O)C1(CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)O

InChI

InChI=1S/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3

InChIKey

IQCNQJXIOWBNAT-UHFFFAOYSA-N

Compound name

(17-acetyl-17-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 374.2457 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	375.252976	193.2
[M+Na]+	397.234918	197.6
[M-H]-	373.238424	195.8
[M+NH4]+	392.279523	215.0
[M+K]+	413.208858	193.0
[M+H-H2O]+	357.242960	187.7
[M+HCOO]-	419.243901	199.8
[M+CH3COO]-	433.259551	217.8
[M+Na-2H]-	395.220366	191.7
[M]+	374.24515142	188.6
[M]-	374.24624858	188.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe