CID 204572

Brn 4947789

Structural Information

Molecular Formula
C29H39NO5
SMILES
CC(C)CC[C@](C)([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OC(=O)C)O4)C)OC)O
InChI
InChI=1S/C29H39NO5/c1-17(2)9-10-26(4,32)21-16-27-11-12-29(21,33-6)25-28(27)13-14-30(5)22(27)15-19-7-8-20(34-18(3)31)24(35-25)23(19)28/h7-8,11-12,17,21-22,25,32H,9-10,13-16H2,1-6H3/t21-,22-,25-,26-,27?,28+,29+/m1/s1
InChIKey
RTNBUYPWHDMINM-WTDSKIOASA-N
Compound name
[(2S,6R,14R,15S,19R)-19-[(2R)-2-hydroxy-5-methylhexan-2-yl]-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,16-tetraen-11-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.28284 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.29012 214.7
[M+Na]+ 504.27206 222.2
[M+NH4]+ 499.31666 226.7
[M+K]+ 520.24600 212.8
[M-H]- 480.27556 213.7
[M+Na-2H]- 502.25751 210.8
[M]+ 481.28229 216.0
[M]- 481.28339 216.0
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

No patent data available for this compound.