CID 10891601

Verrucosan-2beta-ol

Structural Information

Molecular Formula
C20H34O
SMILES
CC(C)[C@@H]1CC[C@]2([C@H]1[C@H]3[C@@H]([C@@]4(C[C@@H]4C[C@@]3(CC2)C)C)O)C
InChI
InChI=1S/C20H34O/c1-12(2)14-6-7-18(3)8-9-19(4)10-13-11-20(13,5)17(21)16(19)15(14)18/h12-17,21H,6-11H2,1-5H3/t13-,14-,15+,16-,17-,18+,19-,20+/m0/s1
InChIKey
QQHDEGUZXBOWLH-HXCJBJRFSA-N
Compound name
(1R,2R,3S,6R,9S,11S,13R,14S)-6,9,13-trimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.011,13]tetradecan-14-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.26096 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 174.3
[M+Na]+ 313.250178 182.1
[M-H]- 289.253684 178.5
[M+NH4]+ 308.294783 195.1
[M+K]+ 329.224118 177.8
[M+H-H2O]+ 273.258220 170.6
[M+HCOO]- 335.259161 182.4
[M+CH3COO]- 349.274811 183.8
[M+Na-2H]- 311.235626 174.7
[M]+ 290.26041142 173.2
[M]- 290.26150858 173.2
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

No patent data available for this compound.