CID 3074876

Dtxsid90937194

Structural Information

Molecular Formula
C18H24O6
SMILES
CC1C2C(C3(CCCCC3C1(C(=O)C4=C(O2)C(OC4=O)C)C)O)O
InChI
InChI=1S/C18H24O6/c1-8-12-15(20)18(22)7-5-4-6-10(18)17(8,3)14(19)11-13(24-12)9(2)23-16(11)21/h8-10,12,15,20,22H,4-7H2,1-3H3
InChIKey
UMVGVJGZMKQXJC-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-1,12,17-trimethyl-10,13-dioxatetracyclo[7.7.1.02,7.011,15]heptadec-11(15)-ene-14,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.1573 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.164576 172.6
[M+Na]+ 359.146518 180.0
[M-H]- 335.150024 177.2
[M+NH4]+ 354.191123 191.2
[M+K]+ 375.120458 179.8
[M+H-H2O]+ 319.154560 169.8
[M+HCOO]- 381.155501 179.9
[M+CH3COO]- 395.171151 182.4
[M+Na-2H]- 357.131966 175.7
[M]+ 336.15675142 170.1
[M]- 336.15784858 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

literature stripe

Patent stripe

No patent data available for this compound.