CID 11565893

Helioscopinolide e

Structural Information

Molecular Formula
C20H26O3
SMILES
CC1=C2C=C3CC[C@H]4[C@]([C@@H]3C[C@H]2OC1=O)(CCC(=O)C4(C)C)C
InChI
InChI=1S/C20H26O3/c1-11-13-9-12-5-6-16-19(2,3)17(21)7-8-20(16,4)14(12)10-15(13)23-18(11)22/h9,14-16H,5-8,10H2,1-4H3/t14-,15-,16-,20+/m1/s1
InChIKey
JFINBCWMRIJTDN-NLDJYOPPSA-N
Compound name
(4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-3,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

22
Patents

314.1882 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19548 173.0
[M+Na]+ 337.17742 181.6
[M-H]- 313.18092 179.2
[M+NH4]+ 332.22202 195.6
[M+K]+ 353.15136 177.4
[M+H-H2O]+ 297.18546 167.3
[M+HCOO]- 359.18640 184.7
[M+CH3COO]- 373.20205 184.1
[M+Na-2H]- 335.16287 174.7
[M]+ 314.18765 171.3
[M]- 314.18875 171.3
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