CID 14357350

Y-taraxastanonol

Structural Information

Molecular Formula

C₃₀H₅₀O₂

SMILES

CC1C2C3CCC4C5(CCC(=O)C(C5CCC4(C3(CCC2(CCC1(C)O)C)C)C)(C)C)C

InChI

InChI=1S/C30H50O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h19-22,24,32H,9-18H2,1-8H3

InChIKey

VCUCVBNQZJFUDR-UHFFFAOYSA-N

Compound name

11-hydroxy-4,4,6a,6b,8a,11,12,14b-octamethyl-2,4a,5,6,6a,7,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 442.38107 Da
Monoisotopic Mass: 8.0
XlogP (predicted)

Profile

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]+	443.388346	207.5
[M+Na]+	465.370288	213.1
[M-H]-	441.373794	209.7
[M+NH4]+	460.414893	231.3
[M+K]+	481.344228	206.6
[M+H-H2O]+	425.378330	197.0
[M+HCOO]-	487.379271	205.8
[M+CH3COO]-	501.394921	212.9
[M+Na-2H]-	463.355736	206.7
[M]+	442.38052142	199.2
[M]-	442.38161858	199.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.