CID 78358495

Guan-fu base a

Structural Information

Molecular Formula
C24H31NO6
SMILES
CC(=O)O[C@H]1C[C@]2(CN3C4[C@H]2[C@]5(C1)C3[C@]6(C([C@H]7[C@H]([C@@H]5C6(C4)CC7=C)O)OC(=O)C)O)C
InChI
InChI=1S/C24H31NO6/c1-10-5-22-8-14-17-21(4)6-13(30-11(2)26)7-23(17)18(22)16(28)15(10)19(31-12(3)27)24(22,29)20(23)25(14)9-21/h13-20,28-29H,1,5-9H2,2-4H3/t13-,14?,15+,16+,17+,18+,19?,20?,21-,22?,23-,24-/m0/s1
InChIKey
OGNUSOJAYIHLNS-CZORAKQYSA-N
Compound name
[(1S,3S,5R,9R,11R,17R,18S,19S)-10-acetyloxy-9,19-dihydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

0
Patents

429.21515 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.22243 193.7
[M+Na]+ 452.20437 196.1
[M+NH4]+ 447.24897 206.9
[M+K]+ 468.17831 190.8
[M-H]- 428.20787 188.1
[M+Na-2H]- 450.18982 184.1
[M]+ 429.21460 192.6
[M]- 429.21570 192.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.