CID 154824097

Jolkinol c

Structural Information

Molecular Formula
C20H28O3
SMILES
C[C@H]1C[C@]2([C@H](C1=O)/C=C(/CC[C@H]3[C@H](C3(C)C)/C=C(/C2=O)\C)\C)O
InChI
InChI=1S/C20H28O3/c1-11-6-7-14-15(19(14,4)5)9-12(2)18(22)20(23)10-13(3)17(21)16(20)8-11/h8-9,13-16,23H,6-7,10H2,1-5H3/b11-8+,12-9+/t13-,14-,15+,16-,20+/m0/s1
InChIKey
IJTPHJTXFYPJHI-GPBLISQPSA-N
Compound name
(1R,3E,5R,7S,10E,12R,14S)-1-hydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,10-diene-2,13-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

316.20386 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.21114 167.7
[M+Na]+ 339.19308 179.1
[M-H]- 315.19658 171.2
[M+NH4]+ 334.23768 183.3
[M+K]+ 355.16702 175.7
[M+H-H2O]+ 299.20112 169.1
[M+HCOO]- 361.20206 182.1
[M+CH3COO]- 375.21771 207.5
[M+Na-2H]- 337.17853 167.8
[M]+ 316.20331 169.9
[M]- 316.20441 169.9
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.