CID 23955796

Megxp0_000840

Structural Information

Molecular Formula
C19H24O7
SMILES
CC1=C[C@@H]2[C@@H]([C@H](C[C@@](C(=O)CC1O)(C)O)OC(=O)C(=C)C)C(=C)C(=O)O2
InChI
InChI=1S/C19H24O7/c1-9(2)17(22)26-14-8-19(5,24)15(21)7-12(20)10(3)6-13-16(14)11(4)18(23)25-13/h6,12-14,16,20,24H,1,4,7-8H2,2-3,5H3/t12?,13-,14+,16+,19-/m1/s1
InChIKey
JGWDBQRLOBLTHU-RELBSBPCSA-N
Compound name
[(3aR,4S,6R,11aR)-6,9-dihydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1522 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.159476 176.2
[M+Na]+ 387.141418 183.7
[M-H]- 363.144924 176.6
[M+NH4]+ 382.186023 189.1
[M+K]+ 403.115358 182.4
[M+H-H2O]+ 347.149460 176.9
[M+HCOO]- 409.150401 188.1
[M+CH3COO]- 423.166051 210.3
[M+Na-2H]- 385.126866 172.2
[M]+ 364.15165142 174.7
[M]- 364.15274858 174.7
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.