CID 56840891

Altoside

Structural Information

Molecular Formula
C30H40O10
SMILES
C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CCC5=C[C@H](CC[C@]35C=O)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O
InChI
InChI=1S/C30H40O10/c1-28-9-7-20-21(30(28,37)11-8-19(28)16-2-5-23(33)38-14-16)4-3-17-12-18(6-10-29(17,20)15-32)39-27-26(36)25(35)24(34)22(13-31)40-27/h2,5,12,14-15,18-22,24-27,31,34-37H,3-4,6-11,13H2,1H3/t18-,19+,20-,21+,22?,24+,25?,26?,27+,28+,29+,30-/m0/s1
InChIKey
AVMSZBMWLNNGEP-QNXBJORJSA-N
Compound name
(3S,8R,9S,10S,13R,14S,17R)-14-hydroxy-13-methyl-17-(6-oxopyran-3-yl)-3-[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

560.26215 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.26943 228.8
[M+Na]+ 583.25137 231.5
[M-H]- 559.25487 233.6
[M+NH4]+ 578.29597 236.9
[M+K]+ 599.22531 230.3
[M+H-H2O]+ 543.25941 221.0
[M+HCOO]- 605.26035 225.8
[M+CH3COO]- 619.27600 232.2
[M+Na-2H]- 581.23682 227.0
[M]+ 560.26160 225.0
[M]- 560.26270 225.0
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

patents stripe