PubChemLite - Lanostane (C30H54)

Structural Information

Molecular Formula

SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CCCC4(C)C)C)C)C

InChI

InChI=1S/C30H54/c1-21(2)11-9-12-22(3)23-15-19-30(8)25-13-14-26-27(4,5)17-10-18-28(26,6)24(25)16-20-29(23,30)7/h21-26H,9-20H2,1-8H3/t22-,23-,24+,25-,26+,28-,29-,30+/m1/s1

InChIKey

ZQIOPEXWVBIZAV-ZKYCIREVSA-N

Compound name

(5S,8R,9S,10R,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,5,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene

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]+	415.42983	211.6
[M+Na]+	437.41177	213.3
[M-H]-	413.41527	213.8
[M+NH4]+	432.45637	234.4
[M+K]+	453.38571	206.6
[M+H-H2O]+	397.41981	204.3
[M+HCOO]-	459.42075	214.6
[M+CH3COO]-	473.43640	234.1
[M+Na-2H]-	435.39722	205.4
[M]+	414.42200	205.0
[M]-	414.42310	205.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

415.42983

211.6

[M+Na]+

437.41177

213.3

[M-H]-

413.41527

213.8

[M+NH4]+

432.45637

234.4

[M+K]+

453.38571

206.6

[M+H-H2O]+

397.41981

204.3

[M+HCOO]-

459.42075

214.6

[M+CH3COO]-

473.43640

234.1

[M+Na-2H]-

435.39722

205.4

[M]+

414.42200

205.0

[M]-

414.42310

205.0

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

Lanostane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe