CID 124201430

Einecs 237-845-1

Structural Information

Molecular Formula
C23H33NO3
SMILES
CC1=N[C@@]2([C@H](O1)CC3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)C(=O)C
InChI
InChI=1S/C23H33NO3/c1-13(25)23-20(27-14(2)24-23)12-19-17-6-5-15-11-16(26)7-9-21(15,3)18(17)8-10-22(19,23)4/h5,16-20,26H,6-12H2,1-4H3/t16-,17+,18-,19?,20+,21-,22-,23+/m0/s1
InChIKey
DZPFGVQQPONIOI-APSXMIGBSA-N
Compound name
1-[(1R,4R,8S,9S,12S,13R,16S)-16-hydroxy-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,18-dien-8-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.24603 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.25331 192.4
[M+Na]+ 394.23525 200.5
[M+NH4]+ 389.27985 205.2
[M+K]+ 410.20919 192.4
[M-H]- 370.23875 194.9
[M+Na-2H]- 392.22070 192.9
[M]+ 371.24548 194.6
[M]- 371.24658 194.6
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.