CID 443480

Aphidicolan-16beta-ol

Structural Information

Molecular Formula
C20H34O
SMILES
C[C@]12CCCC([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@@H](C3)C4)(C)O)(C)C
InChI
InChI=1S/C20H34O/c1-17(2)8-5-9-18(3)16(17)7-6-14-12-15-13-20(14,18)11-10-19(15,4)21/h14-16,21H,5-13H2,1-4H3/t14-,15-,16-,18-,19+,20-/m0/s1
InChIKey
ODCPNBCPLWJVQI-NHWXPXPKSA-N
Compound name
(1S,2S,7S,10S,12S,13R)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

290.26096 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26824 175.2
[M+Na]+ 313.25018 180.7
[M-H]- 289.25368 177.6
[M+NH4]+ 308.29478 202.7
[M+K]+ 329.22412 174.6
[M+H-H2O]+ 273.25822 168.7
[M+HCOO]- 335.25916 182.8
[M+CH3COO]- 349.27481 184.2
[M+Na-2H]- 311.23563 177.2
[M]+ 290.26041 168.2
[M]- 290.26151 168.2
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