CID 46173151

16, 17-dihydro-16alpha, 17-dihydroxy ga9

Structural Information

Molecular Formula
C19H26O6
SMILES
C[C@]12CCCC3([C@@H]1[C@@H]([C@]45[C@H]3CC[C@H](C4)[C@](C5)(CO)O)C(=O)O)OC2=O
InChI
InChI=1S/C19H26O6/c1-16-5-2-6-19(25-15(16)23)11-4-3-10-7-17(11,8-18(10,24)9-20)12(13(16)19)14(21)22/h10-13,20,24H,2-9H2,1H3,(H,21,22)/t10-,11-,12-,13-,16+,17-,18+,19?/m1/s1
InChIKey
OXEMPUBMLFVGQQ-XAGBHBTISA-N
Compound name
(2R,5R,6R,8R,9S,10R,11S)-6-hydroxy-6-(hydroxymethyl)-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

350.17294 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18022 180.3
[M+Na]+ 373.16216 186.7
[M-H]- 349.16566 182.6
[M+NH4]+ 368.20676 206.3
[M+K]+ 389.13610 181.9
[M+H-H2O]+ 333.17020 178.6
[M+HCOO]- 395.17114 186.2
[M+CH3COO]- 409.18679 189.2
[M+Na-2H]- 371.14761 181.3
[M]+ 350.17239 178.3
[M]- 350.17349 178.3
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.