CID 212348

24211-64-1

Structural Information

Molecular Formula
C23H32O6
SMILES
C[C@]12CC[C@H]3[C@H](C1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@@H]5[C@@]3(C[C@H]([C@@H](C5)O)O)C=O
InChI
InChI=1S/C23H32O6/c1-21-6-4-16-17(3-2-14-9-18(25)19(26)10-22(14,16)12-24)23(21,28)7-5-15(21)13-8-20(27)29-11-13/h8,12,14-19,25-26,28H,2-7,9-11H2,1H3/t14-,15+,16-,17+,18+,19+,21+,22+,23?/m0/s1
InChIKey
VRDLGTLMAZPOMK-ULYMASLISA-N
Compound name
(2R,3R,5S,8R,9S,10R,13R,17R)-2,3,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.21988 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.22716 195.0
[M+Na]+ 427.20910 200.5
[M+NH4]+ 422.25370 205.8
[M+K]+ 443.18304 194.4
[M-H]- 403.21260 197.0
[M+Na-2H]- 425.19455 195.1
[M]+ 404.21933 196.3
[M]- 404.22043 196.3
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.