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

2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.