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]+ 289.252606 173.6
[M+Na]+ 311.234548 179.7
[M-H]- 287.238054 176.3
[M+NH4]+ 306.279153 199.7
[M+K]+ 327.208488 173.5
[M+H-H2O]+ 271.242590 167.4
[M+HCOO]- 333.243531 182.6
[M+CH3COO]- 347.259181 183.1
[M+Na-2H]- 309.219996 175.1
[M]+ 288.24478142 167.9
[M]- 288.24587858 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.