PubChemLite - 29-norlanosterol (C29H48O)

Structural Information

Molecular Formula

SMILES

C[C@H]1[C@@H]2CCC3=C([C@]2(CC[C@@H]1O)C)CC[C@]4([C@]3(CC[C@@H]4[C@H](C)CCC=C(C)C)C)C

InChI

InChI=1S/C29H48O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h9,20-23,26,30H,8,10-18H2,1-7H3/t20-,21+,22-,23+,26+,27+,28-,29+/m1/s1

InChIKey

KLZWTHGLLDRKHD-PMIIOQGLSA-N

Compound name

(3S,4S,5S,10S,13R,14R,17R)-4,10,13,14-tetramethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,3,4,5,6,7,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

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]+	413.37778	209.9
[M+Na]+	435.35972	212.6
[M-H]-	411.36322	211.6
[M+NH4]+	430.40432	230.6
[M+K]+	451.33366	205.3
[M+H-H2O]+	395.36776	203.6
[M+HCOO]-	457.36870	213.6
[M+CH3COO]-	471.38435	230.7
[M+Na-2H]-	433.34517	203.7
[M]+	412.36995	203.5
[M]-	412.37105	203.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.37778

209.9

[M+Na]+

435.35972

212.6

[M-H]-

411.36322

211.6

[M+NH4]+

430.40432

230.6

[M+K]+

451.33366

205.3

[M+H-H2O]+

395.36776

203.6

[M+HCOO]-

457.36870

213.6

[M+CH3COO]-

471.38435

230.7

[M+Na-2H]-

433.34517

203.7

[M]+

412.36995

203.5

[M]-

412.37105

203.5

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

29-norlanosterol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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