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

0
Patents

560.26215 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.269426 228.8
[M+Na]+ 583.251368 231.5
[M-H]- 559.254874 233.6
[M+NH4]+ 578.295973 236.9
[M+K]+ 599.225308 230.3
[M+H-H2O]+ 543.259410 221.0
[M+HCOO]- 605.260351 225.8
[M+CH3COO]- 619.276001 232.2
[M+Na-2H]- 581.236816 227.0
[M]+ 560.26160142 225.0
[M]- 560.26269858 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