CID 164610931

Boesenmaxane c

Structural Information

Molecular Formula
C20H28O2
SMILES
C[C@]12CCCC([C@@H]1CC=C3[C@@H]2C[C@H](C3)C4=CCOC4=O)(C)C
InChI
InChI=1S/C20H28O2/c1-19(2)8-4-9-20(3)16-12-14(15-7-10-22-18(15)21)11-13(16)5-6-17(19)20/h5,7,14,16-17H,4,6,8-12H2,1-3H3/t14-,16-,17-,20+/m0/s1
InChIKey
YUEXBYMIQXTYJU-JWWIWJDOSA-N
Compound name
4-[(2R,5aS,9aS,9bS)-6,6,9a-trimethyl-2,3,5,5a,7,8,9,9b-octahydro-1H-cyclopenta[a]naphthalen-2-yl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.20892 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21620 173.6
[M+Na]+ 323.19814 180.3
[M-H]- 299.20164 181.9
[M+NH4]+ 318.24274 197.1
[M+K]+ 339.17208 176.2
[M+H-H2O]+ 283.20618 168.3
[M+HCOO]- 345.20712 187.9
[M+CH3COO]- 359.22277 184.8
[M+Na-2H]- 321.18359 172.9
[M]+ 300.20837 170.1
[M]- 300.20947 170.1
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.