CID 16066859

1-[(1r,4r,6r,7s,10s,13r,15s)-7-hydroxy-7-methyl-2-methylidene-5,14,16-trioxatetracyclo[8.7.0.04,6.011,15]heptadec-11-en-13-yl]-2-methylpropane-1,2-diol

Structural Information

Molecular Formula
C20H30O6
SMILES
C[C@@]1(CC[C@H]2[C@@H](CO[C@@H]3C2=C[C@@H](O3)C(C(C)(C)O)O)C(=C)C[C@@H]4[C@H]1O4)O
InChI
InChI=1S/C20H30O6/c1-10-7-15-17(25-15)20(4,23)6-5-11-12-8-14(16(21)19(2,3)22)26-18(12)24-9-13(10)11/h8,11,13-18,21-23H,1,5-7,9H2,2-4H3/t11-,13+,14-,15-,16?,17-,18+,20+/m1/s1
InChIKey
CWQXZHGXSAZDMP-MHBSPTNUSA-N
Compound name
1-[(1R,4R,6R,7S,10S,13R,15S)-7-hydroxy-7-methyl-2-methylidene-5,14,16-trioxatetracyclo[8.7.0.04,6.011,15]heptadec-11-en-13-yl]-2-methylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20422 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21150 204.5
[M+Na]+ 389.19344 204.1
[M-H]- 365.19694 203.8
[M+NH4]+ 384.23804 204.0
[M+K]+ 405.16738 204.8
[M+H-H2O]+ 349.20148 196.5
[M+HCOO]- 411.20242 204.4
[M+CH3COO]- 425.21807 204.8
[M+Na-2H]- 387.17889 205.3
[M]+ 366.20367 204.0
[M]- 366.20477 204.0
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.