CID 131752717

3beta-cycloart-5-ene-3,25-diol

Structural Information

Molecular Formula
C30H50O2
SMILES
CC(CCCC(C)(C)O)C1CCC2(C1(CCC34C2CC=C5C3(C4)CCC(C5(C)C)O)C)C
InChI
InChI=1S/C30H50O2/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/h10,20-21,23-24,31-32H,8-9,11-19H2,1-7H3
InChIKey
RLKGJYSFFCRCGQ-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]octadec-8-en-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

442.38107 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.38835 205.9
[M+Na]+ 465.37029 214.5
[M+NH4]+ 460.41489 221.3
[M+K]+ 481.34423 202.5
[M-H]- 441.37379 215.3
[M+Na-2H]- 463.35574 213.5
[M]+ 442.38052 211.9
[M]- 442.38162 211.9
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.