CID 565447

Cycloartane-3.beta.,25-diol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

444.39673 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.40401 211.1
[M+Na]+ 467.38595 215.0
[M-H]- 443.38945 213.7
[M+NH4]+ 462.43055 228.4
[M+K]+ 483.35989 211.4
[M+H-H2O]+ 427.39399 207.4
[M+HCOO]- 489.39493 209.7
[M+CH3COO]- 503.41058 233.8
[M+Na-2H]- 465.37140 210.0
[M]+ 444.39618 210.0
[M]- 444.39728 210.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.