PubChemLite - Myricardiol (C30H50O2)

Structural Information

Molecular Formula

SMILES

CC1(CCC2(CC=C3C4(CCC5C(C(CCC5(C4CCC3(C2C1)C)C)O)(C)C)C)CO)C

InChI

InChI=1S/C30H50O2/c1-25(2)16-17-30(19-31)15-10-22-28(6)12-8-20-26(3,4)24(32)11-14-27(20,5)21(28)9-13-29(22,7)23(30)18-25/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3

InChIKey

RJAKLUPHSBOQNU-UHFFFAOYSA-N

Compound name

8a-(hydroxymethyl)-4,4,6a,6a,11,11,14b-heptamethyl-1,2,3,4a,5,6,8,9,10,12,12a,13,14,14a-tetradecahydropicen-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]+	443.38835	212.0
[M+Na]+	465.37029	219.8
[M+NH4]+	460.41489	228.9
[M+K]+	481.34423	201.3
[M-H]-	441.37379	215.1
[M+Na-2H]-	463.35574	217.0
[M]+	442.38052	215.0
[M]-	442.38162	215.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.38835

212.0

[M+Na]+

465.37029

219.8

[M+NH4]+

460.41489

228.9

[M+K]+

481.34423

201.3

[M-H]-

441.37379

215.1

[M+Na-2H]-

463.35574

217.0

[M]+

442.38052

215.0

[M]-

442.38162

215.0

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

Myricardiol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe