CID 3516474

3-hydroxy-10,11,13-trimethyl-hexadecahydro-cyclopenta(a)phenanthren-17-one

Structural Information

Molecular Formula

C₂₀H₃₂O₂

SMILES

CC1CC2(C(CCC2=O)C3C1C4(CCC(CC4CC3)O)C)C

InChI

InChI=1S/C20H32O2/c1-12-11-20(3)16(6-7-17(20)22)15-5-4-13-10-14(21)8-9-19(13,2)18(12)15/h12-16,18,21H,4-11H2,1-3H3

InChIKey

FHSSMFXPNPSOIA-UHFFFAOYSA-N

Compound name

3-hydroxy-10,11,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 304.24023 Da
Monoisotopic Mass: 3.9
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]+	305.247506	177.1
[M+Na]+	327.229448	182.0
[M-H]-	303.232954	179.9
[M+NH4]+	322.274053	200.3
[M+K]+	343.203388	176.1
[M+H-H2O]+	287.237490	171.3
[M+HCOO]-	349.238431	184.8
[M+CH3COO]-	363.254081	185.7
[M+Na-2H]-	325.214896	175.8
[M]+	304.23968142	168.8
[M]-	304.24077858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.