CID 160265

25-isosolafloridine

Structural Information

Molecular Formula
C27H45NO2
SMILES
C[C@H]1CCC(=NC1)[C@@H](C)C2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C)O
InChI
InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-22,24-25,29-30H,5-15H2,1-4H3/t16-,17+,18-,19-,20+,21-,22-,24+,25?,26-,27-/m0/s1
InChIKey
HFOSABNORYNULM-QMOSAJSQSA-N
Compound name
(3S,5S,8R,9S,10S,13S,14S,16R)-10,13-dimethyl-17-[(1S)-1-[(3S)-3-methyl-2,3,4,5-tetrahydropyridin-6-yl]ethyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.34503 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.35231 209.6
[M+Na]+ 438.33425 216.9
[M+NH4]+ 433.37885 221.0
[M+K]+ 454.30819 207.5
[M-H]- 414.33775 212.9
[M+Na-2H]- 436.31970 209.7
[M]+ 415.34448 211.6
[M]- 415.34558 211.6
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.