CID 164615574

Boesenmaxane b

Structural Information

Molecular Formula
C20H24O4
SMILES
C[C@]12CCC(=O)C([C@@H]1CC(=O)C3=C2C[C@H](C3)C4=CCOC4=O)(C)C
InChI
InChI=1S/C20H24O4/c1-19(2)16-10-15(21)13-8-11(12-5-7-24-18(12)23)9-14(13)20(16,3)6-4-17(19)22/h5,11,16H,4,6-10H2,1-3H3/t11-,16-,20+/m0/s1
InChIKey
FPGSYRLSLNWAPP-XITNVPRNSA-N
Compound name
(2R,5aR,9aS)-6,6,9a-trimethyl-2-(5-oxo-2H-furan-4-yl)-2,3,5,5a,8,9-hexahydro-1H-cyclopenta[a]naphthalene-4,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.16745 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 175.0
[M+Na]+ 351.15667 183.7
[M-H]- 327.16017 184.0
[M+NH4]+ 346.20127 197.6
[M+K]+ 367.13061 179.7
[M+H-H2O]+ 311.16471 170.8
[M+HCOO]- 373.16565 189.9
[M+CH3COO]- 387.18130 210.1
[M+Na-2H]- 349.14212 174.2
[M]+ 328.16690 174.0
[M]- 328.16800 174.0
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.