CID 15765782

157067-34-0

Structural Information

Molecular Formula
C43H49NO15
SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)N6C(=O)C(OC6=O)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O
InChI
InChI=1S/C43H49NO15/c1-21-25(56-36(51)31(48)29(23-14-10-8-11-15-23)44-37(52)40(5,6)59-38(44)53)19-43(54)34(57-35(50)24-16-12-9-13-17-24)32-41(7,33(49)30(47)28(21)39(43,3)4)26(46)18-27-42(32,20-55-27)58-22(2)45/h8-17,25-27,29-32,34,46-48,54H,18-20H2,1-7H3/t25-,26-,27+,29-,30+,31+,32-,34-,41+,42-,43+/m0/s1
InChIKey
WZZFVRAJNWWNDL-AYORVWLJSA-N
Compound name
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

819.31024 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 820.31752 272.2
[M+Na]+ 842.29946 274.1
[M-H]- 818.30296 272.9
[M+NH4]+ 837.34406 273.2
[M+K]+ 858.27340 268.6
[M+H-H2O]+ 802.30750 266.5
[M+HCOO]- 864.30844 274.2
[M+CH3COO]- 878.32409 276.0
[M+Na-2H]- 840.28491 281.7
[M]+ 819.30969 279.2
[M]- 819.31079 279.2
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.