PubChemLite - (24s)-24,25-epoxysunpollenol (C30H52O3)

Structural Information

Molecular Formula

SMILES

C[C@@H](CC[C@H]1C(O1)(C)C)[C@@H]2CC[C@]3([C@]2(CC[C@@]4([C@@H]3CC[C@@]5([C@H]4CCCO5)C(C)(C)O)C)C)C

InChI

InChI=1S/C30H52O3/c1-20(11-12-24-25(2,3)33-24)21-13-15-29(8)22-14-16-30(26(4,5)31)23(10-9-19-32-30)27(22,6)17-18-28(21,29)7/h20-24,31H,9-19H2,1-8H3/t20-,21-,22-,23-,24-,27+,28-,29+,30+/m0/s1

InChIKey

WWWOCVBEDWYMAJ-YTXZDOLYSA-N

Compound name

2-[(1S,3aR,3bS,5aR,9aS,9bR,11aS)-1-[(2S)-4-[(2S)-3,3-dimethyloxiran-2-yl]butan-2-yl]-3a,9b,11a-trimethyl-1,2,3,3b,4,5,7,8,9,9a,10,11-dodecahydroindeno[5,4-f]chromen-5a-yl]propan-2-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]+	461.39891	209.2
[M+Na]+	483.38085	213.4
[M-H]-	459.38435	215.2
[M+NH4]+	478.42545	223.7
[M+K]+	499.35479	214.3
[M+H-H2O]+	443.38889	205.2
[M+HCOO]-	505.38983	207.3
[M+CH3COO]-	519.40548	237.1
[M+Na-2H]-	481.36630	209.9
[M]+	460.39108	210.2
[M]-	460.39218	210.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.39891

209.2

[M+Na]+

483.38085

213.4

[M-H]-

459.38435

215.2

[M+NH4]+

478.42545

223.7

[M+K]+

499.35479

214.3

[M+H-H2O]+

443.38889

205.2

[M+HCOO]-

505.38983

207.3

[M+CH3COO]-

519.40548

237.1

[M+Na-2H]-

481.36630

209.9

[M]+

460.39108

210.2

[M]-

460.39218

210.2

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

(24s)-24,25-epoxysunpollenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe