PubChemLite - 24-nor-5beta-chol-22-ene-3alpha,7alpha-diol (C23H38O2)

Structural Information

Molecular Formula

SMILES

C[C@H](C=C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

InChI

InChI=1S/C23H38O2/c1-5-14(2)17-6-7-18-21-19(9-11-23(17,18)4)22(3)10-8-16(24)12-15(22)13-20(21)25/h5,14-21,24-25H,1,6-13H2,2-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23-/m1/s1

InChIKey

ZIEYYQLAVAIGCP-VEPRGJRUSA-N

Compound name

(3R,5S,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-but-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol

Related CIDs

2D Structure

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]+	347.29445	190.7
[M+Na]+	369.27639	193.6
[M-H]-	345.27989	191.5
[M+NH4]+	364.32099	211.3
[M+K]+	385.25033	186.8
[M+H-H2O]+	329.28443	185.2
[M+HCOO]-	391.28537	194.7
[M+CH3COO]-	405.30102	213.6
[M+Na-2H]-	367.26184	186.4
[M]+	346.28662	181.0
[M]-	346.28772	181.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

347.29445

190.7

[M+Na]+

369.27639

193.6

[M-H]-

345.27989

191.5

[M+NH4]+

364.32099

211.3

[M+K]+

385.25033

186.8

[M+H-H2O]+

329.28443

185.2

[M+HCOO]-

391.28537

194.7

[M+CH3COO]-

405.30102

213.6

[M+Na-2H]-

367.26184

186.4

[M]+

346.28662

181.0

[M]-

346.28772

181.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

24-nor-5beta-chol-22-ene-3alpha,7alpha-diol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe