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]+ 445.40401 210.7
[M+Na]+ 467.38595 214.1
[M-H]- 443.38945 213.2
[M+NH4]+ 462.43055 227.9
[M+K]+ 483.35989 210.2
[M+H-H2O]+ 427.39399 206.4
[M+HCOO]- 489.39493 209.9
[M+CH3COO]- 503.41058 234.1
[M+Na-2H]- 465.37140 207.1
[M]+ 444.39618 209.3
[M]- 444.39728 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.