CID 131752926

3beta-cycloartane-3,29-diol

Structural Information

Molecular Formula
C30H52O2
SMILES
CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)CO)O)C)C
InChI
InChI=1S/C30H52O2/c1-20(2)8-7-9-21(3)22-12-14-28(6)24-11-10-23-26(4,19-31)25(32)13-15-29(23)18-30(24,29)17-16-27(22,28)5/h20-25,31-32H,7-19H2,1-6H3
InChIKey
HWVWXEOIUCFPQJ-UHFFFAOYSA-N
Compound name
7-(hydroxymethyl)-7,12,16-trimethyl-15-(6-methylheptan-2-yl)pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.39673 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.404006 210.7
[M+Na]+ 467.385948 214.1
[M-H]- 443.389454 213.2
[M+NH4]+ 462.430553 227.9
[M+K]+ 483.359888 210.2
[M+H-H2O]+ 427.393990 206.4
[M+HCOO]- 489.394931 209.9
[M+CH3COO]- 503.410581 234.1
[M+Na-2H]- 465.371396 207.1
[M]+ 444.39618142 209.3
[M]- 444.39727858 209.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.