PubChemLite - Cycloastragenol (C30H50O5)

Structural Information

Molecular Formula

SMILES

CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)O)O)C

InChI

InChI=1S/C30H50O5/c1-24(2)20(33)8-11-30-16-29(30)13-12-26(5)23(28(7)10-9-21(35-28)25(3,4)34)18(32)15-27(26,6)19(29)14-17(31)22(24)30/h17-23,31-34H,8-16H2,1-7H3

InChIKey

WENNXORDXYGDTP-UHFFFAOYSA-N

Compound name

15-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol

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]+	491.37308	203.9
[M+Na]+	513.35502	210.4
[M+NH4]+	508.39962	219.0
[M+K]+	529.32896	201.8
[M-H]-	489.35852	213.9
[M+Na-2H]-	511.34047	210.7
[M]+	490.36525	209.7
[M]-	490.36635	209.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.37308

203.9

[M+Na]+

513.35502

210.4

[M+NH4]+

508.39962

219.0

[M+K]+

529.32896

201.8

[M-H]-

489.35852

213.9

[M+Na-2H]-

511.34047

210.7

[M]+

490.36525

209.7

[M]-

490.36635

209.7

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

Cycloastragenol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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