CID 56927940

2beta-hydroxy-ent-isokaurene

Structural Information

Molecular Formula
C20H32O
SMILES
CC1=C[C@@]23CC[C@H]4[C@]([C@@H]2CC[C@@H]1C3)(C[C@@H](CC4(C)C)O)C
InChI
InChI=1S/C20H32O/c1-13-9-20-8-7-16-18(2,3)11-15(21)12-19(16,4)17(20)6-5-14(13)10-20/h9,14-17,21H,5-8,10-12H2,1-4H3/t14-,15-,16-,17+,19-,20-/m1/s1
InChIKey
KMRGROLDAASNIW-JGFIGGHZSA-N
Compound name
(1S,4R,7R,9R,10S,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-en-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

288.24533 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 173.6
[M+Na]+ 311.23455 179.7
[M-H]- 287.23805 176.3
[M+NH4]+ 306.27915 199.7
[M+K]+ 327.20849 173.5
[M+H-H2O]+ 271.24259 167.4
[M+HCOO]- 333.24353 182.6
[M+CH3COO]- 347.25918 183.1
[M+Na-2H]- 309.22000 175.1
[M]+ 288.24478 167.9
[M]- 288.24588 167.9
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.