CID 131752913

Cycloartan-29-ol

Structural Information

Molecular Formula
C30H52O
SMILES
CC(C)CCCC(C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCCC5(C)CO)C)C
InChI
InChI=1S/C30H52O/c1-21(2)9-7-10-22(3)23-13-16-28(6)25-12-11-24-26(4,20-31)14-8-15-29(24)19-30(25,29)18-17-27(23,28)5/h21-25,31H,7-20H2,1-6H3
InChIKey
KBRQGRJBDVDSBP-UHFFFAOYSA-N
Compound name
[7,12,16-trimethyl-15-(6-methylheptan-2-yl)-7-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

428.40182 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.40910 209.2
[M+Na]+ 451.39104 212.2
[M-H]- 427.39454 212.8
[M+NH4]+ 446.43564 227.4
[M+K]+ 467.36498 208.5
[M+H-H2O]+ 411.39908 203.6
[M+HCOO]- 473.40002 209.8
[M+CH3COO]- 487.41567 214.3
[M+Na-2H]- 449.37649 205.6
[M]+ 428.40127 207.2
[M]- 428.40237 207.2
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

patents stripe